N-[5-[tert-butyl(dimethyl)silyl]oxy-2-pyridinyl]-4-phenylpiperazine-1-carboxamide;N-(5-hydroxy-2-pyridinyl)-4-phenylpiperazine-1-carboxamide;oxolane;hydrochloride

C42H59ClN8O5Si — CID 159942078

IUPACN-[5-[tert-butyl(dimethyl)silyl]oxy-2-pyridinyl]-4-phenylpiperazine-1-carboxamide;N-(5-hydroxy-2-pyridinyl)-4-phenylpiperazine-1-carboxamide;oxolane;hydrochloride
SMILESC1CCOC1.CC(C)(C)[Si](C)(C)Oc1ccc(NC(=O)N2CCN(c3ccccc3)CC2)nc1.Cl.O=C(Nc1ccc(O)cn1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C22H32N4O2Si.C16H18N4O2.C4H8O.ClH/c1-22(2,3)29(4,5)28-19-11-12-20(23-17-19)24-21(27)26-15-13-25(14-16-26)18-9-7-6-8-10-18;21-14-6-7-15(17-12-14)18-16(22)20-10-8-19(9-11-20)13-4-2-1-3-5-13;1-2-4-5-3-1;/h6-12,17H,13-16H2,1-5H3,(H,23,24,27);1-7,12,21H,8-11H2,(H,17,18,22);1-4H2;1H
InChIKeyYGEXTSFDXIEIQS-UHFFFAOYSA-N
MW819.52 g/mol
LogP8.18
Rot. Bonds6

About N-[5-[tert-butyl(dimethyl)silyl]oxy-2-pyridinyl]-4-phenylpiperazine-1-carboxamide;N-(5-hydroxy-2-pyridinyl)-4-phenylpiperazine-1-carboxamide;oxolane;hydrochloride

N-[5-[tert-butyl(dimethyl)silyl]oxy-2-pyridinyl]-4-phenylpiperazine-1-carboxamide;N-(5-hydroxy-2-pyridinyl)-4-phenylpiperazine-1-carboxamide;oxolane;hydrochloride (PubChem CID 159942078) has the molecular formula C42H59ClN8O5Si and a molecular weight of 819.52 g/mol. Its IUPAC name is N-[5-[tert-butyl(dimethyl)silyl]oxy-2-pyridinyl]-4-phenylpiperazine-1-carboxamide;N-(5-hydroxy-2-pyridinyl)-4-phenylpiperazine-1-carboxamide;oxolane;hydrochloride.

Molecular Properties

Compound NameN-[5-[tert-butyl(dimethyl)silyl]oxy-2-pyridinyl]-4-phenylpiperazine-1-carboxamide;N-(5-hydroxy-2-pyridinyl)-4-phenylpiperazine-1-carboxamide;oxolane;hydrochloride
PubChem CID159942078
Molecular FormulaC42H59ClN8O5Si
Molecular Weight819.52 g/mol
Exact Mass818.41
IUPAC NameN-[5-[tert-butyl(dimethyl)silyl]oxy-2-pyridinyl]-4-phenylpiperazine-1-carboxamide;N-(5-hydroxy-2-pyridinyl)-4-phenylpiperazine-1-carboxamide;oxolane;hydrochloride
SMILESC1CCOC1.CC(C)(C)[Si](C)(C)Oc1ccc(NC(=O)N2CCN(c3ccccc3)CC2)nc1.Cl.O=C(Nc1ccc(O)cn1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C22H32N4O2Si.C16H18N4O2.C4H8O.ClH/c1-22(2,3)29(4,5)28-19-11-12-20(23-17-19)24-21(27)26-15-13-25(14-16-26)18-9-7-6-8-10-18;21-14-6-7-15(17-12-14)18-16(22)20-10-8-19(9-11-20)13-4-2-1-3-5-13;1-2-4-5-3-1;/h6-12,17H,13-16H2,1-5H3,(H,23,24,27);1-7,12,21H,8-11H2,(H,17,18,22);1-4H2;1H
InChIKeyYGEXTSFDXIEIQS-UHFFFAOYSA-N
XLogP8.18
TPSA135.63 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500819.52
LogP ≤ 58.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

N-[5-[tert-butyl(dimethyl)silyl]oxy-2-pyridinyl]-4-(3,5,6-trifluoro-2-pyridinyl)piperazine-1-carboxamide;N-(5-hydroxy-2-pyridinyl)-4-(3,5,6-trifluoro-2-pyridinyl)piperazine-1-carboxamide;oxolane;hydrochloride
CID 159296515
N-[5-[tert-butyl(dimethyl)silyl]oxy-2-pyridinyl]-4-(1-methylpyrazol-4-yl)piperazine-1-carboxamide;N-(5-hydroxy-2-pyridinyl)-4-(1-methylpyrazol-4-yl)piperazine-1-carboxamide
CID 161263734
N-[5-[tert-butyl(dimethyl)silyl]oxy-2-pyridinyl]-4-(1-methylindazol-4-yl)piperazine-1-carboxamide;N-(5-hydroxy-2-pyridinyl)-4-(1-methylindazol-4-yl)piperazine-1-carboxamide;oxolane;hydrochloride
CID 162236291
N-[5-[tert-butyl(dimethyl)silyl]oxy-2-pyridinyl]-4-pyridin-3-ylpiperazine-1-carboxamide
CID 155632598
N-[5-[tert-butyl(dimethyl)silyl]oxy-2-pyridinyl]-4-(4-fluorophenyl)piperazine-1-carboxamide
CID 155632677
N-[5-[tert-butyl(dimethyl)silyl]oxy-2-pyridinyl]-4-(4-cyanophenyl)piperazine-1-carboxamide
CID 155632630
N-[5-[tert-butyl(dimethyl)silyl]oxy-2-pyridinyl]-2-[1-(5-chloro-2-pyridinyl)piperidin-4-yl]acetamide;2-[1-(5-chloro-2-pyridinyl)piperidin-4-yl]-N-(5-hydroxy-2-pyridinyl)acetamide;oxolane;hydrochloride
CID 161372436
N-[5-[tert-butyl(dimethyl)silyl]oxy-2-pyridinyl]-2-[4-(4-methylphenyl)piperazin-1-yl]acetamide
CID 159381922
N-[5-[tert-butyl(dimethyl)silyl]oxy-2-pyridinyl]-4-[(4-fluorophenyl)methyl]piperazine-1-carboxamide
CID 151857612
4-(4-chlorophenyl)-N-(5-hydroxy-2-pyridinyl)-1,4-diazepane-1-carboxamide
CID 142622847
5-[tert-butyl(dimethyl)silyl]oxypyridin-2-amine;N-[5-[tert-butyl(dimethyl)silyl]oxy-2-pyridinyl]-3-phenylbenzamide;N-(5-hydroxy-2-pyridinyl)-3-phenylbenzamide;3-phenylbenzoic acid
CID 161416013
benzyl 4-[[5-[tert-butyl(dimethyl)silyl]oxy-2-pyridinyl]sulfamoyl]piperidine-1-carboxylate
CID 155632593

Frequently Asked Questions

What is the IUPAC name of N-[5-[tert-butyl(dimethyl)silyl]oxy-2-pyridinyl]-4-phenylpiperazine-1-carboxamide;N-(5-hydroxy-2-pyridinyl)-4-phenylpiperazine-1-carboxamide;oxolane;hydrochloride?
The IUPAC name of N-[5-[tert-butyl(dimethyl)silyl]oxy-2-pyridinyl]-4-phenylpiperazine-1-carboxamide;N-(5-hydroxy-2-pyridinyl)-4-phenylpiperazine-1-carboxamide;oxolane;hydrochloride (CID 159942078) is N-[5-[tert-butyl(dimethyl)silyl]oxy-2-pyridinyl]-4-phenylpiperazine-1-carboxamide;N-(5-hydroxy-2-pyridinyl)-4-phenylpiperazine-1-carboxamide;oxolane;hydrochloride.
What is the SMILES notation for N-[5-[tert-butyl(dimethyl)silyl]oxy-2-pyridinyl]-4-phenylpiperazine-1-carboxamide;N-(5-hydroxy-2-pyridinyl)-4-phenylpiperazine-1-carboxamide;oxolane;hydrochloride?
The canonical SMILES for N-[5-[tert-butyl(dimethyl)silyl]oxy-2-pyridinyl]-4-phenylpiperazine-1-carboxamide;N-(5-hydroxy-2-pyridinyl)-4-phenylpiperazine-1-carboxamide;oxolane;hydrochloride is C1CCOC1.CC(C)(C)[Si](C)(C)Oc1ccc(NC(=O)N2CCN(c3ccccc3)CC2)nc1.Cl.O=C(Nc1ccc(O)cn1)N1CCN(c2ccccc2)CC1.
What is the InChIKey of N-[5-[tert-butyl(dimethyl)silyl]oxy-2-pyridinyl]-4-phenylpiperazine-1-carboxamide;N-(5-hydroxy-2-pyridinyl)-4-phenylpiperazine-1-carboxamide;oxolane;hydrochloride?
The InChIKey is YGEXTSFDXIEIQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N4O2Si.C16H18N4O2.C4H8O.ClH/c1-22(2,3)29(4,5)28-19-11-12-20(23-17-19)24-21(27)26-15-13-25(14-16-26)18-9-7-6-8-10-18;21-14-6-7-15(17-12-14)18-16(22)20-10-8-19(9-11-20)13-4-2-1-3-5-13;1-2-4-5-3-1;/h6-12,17H,13-16H2,1-5H3,(H,23,24,27);1-7,12,21H,8-11H2,(H,17,18,22);1-4H2;1H.
What are the key properties of N-[5-[tert-butyl(dimethyl)silyl]oxy-2-pyridinyl]-4-phenylpiperazine-1-carboxamide;N-(5-hydroxy-2-pyridinyl)-4-phenylpiperazine-1-carboxamide;oxolane;hydrochloride?
N-[5-[tert-butyl(dimethyl)silyl]oxy-2-pyridinyl]-4-phenylpiperazine-1-carboxamide;N-(5-hydroxy-2-pyridinyl)-4-phenylpiperazine-1-carboxamide;oxolane;hydrochloride has a molecular weight of 819.52 g/mol, XLogP of 8.18, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[tert-butyl(dimethyl)silyl]oxy-2-pyridinyl]-4-phenylpiperazine-1-carboxamide;N-(5-hydroxy-2-pyridinyl)-4-phenylpiperazine-1-carboxamide;oxolane;hydrochloride is sourced from PubChem (CID 159942078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).