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

C44H61Cl3N8O5Si — CID 161372436

IUPACN-[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
SMILESC1CCOC1.CC(C)(C)[Si](C)(C)Oc1ccc(NC(=O)CC2CCN(c3ccc(Cl)cn3)CC2)nc1.Cl.O=C(CC1CCN(c2ccc(Cl)cn2)CC1)Nc1ccc(O)cn1
InChIInChI=1S/C23H33ClN4O2Si.C17H19ClN4O2.C4H8O.ClH/c1-23(2,3)31(4,5)30-19-7-8-20(25-16-19)27-22(29)14-17-10-12-28(13-11-17)21-9-6-18(24)15-26-21;18-13-1-4-16(20-10-13)22-7-5-12(6-8-22)9-17(24)21-15-3-2-14(23)11-19-15;1-2-4-5-3-1;/h6-9,15-17H,10-14H2,1-5H3,(H,25,27,29);1-4,10-12,23H,5-9H2,(H,19,21,24);1-4H2;1H
InChIKeyWFZZZRQUGYHDGI-UHFFFAOYSA-N
MW916.47 g/mol
LogP10.06
Rot. Bonds10

About 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

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 (PubChem CID 161372436) has the molecular formula C44H61Cl3N8O5Si and a molecular weight of 916.47 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[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
PubChem CID161372436
Molecular FormulaC44H61Cl3N8O5Si
Molecular Weight916.47 g/mol
Exact Mass914.36
IUPAC NameN-[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
SMILESC1CCOC1.CC(C)(C)[Si](C)(C)Oc1ccc(NC(=O)CC2CCN(c3ccc(Cl)cn3)CC2)nc1.Cl.O=C(CC1CCN(c2ccc(Cl)cn2)CC1)Nc1ccc(O)cn1
InChIInChI=1S/C23H33ClN4O2Si.C17H19ClN4O2.C4H8O.ClH/c1-23(2,3)31(4,5)30-19-7-8-20(25-16-19)27-22(29)14-17-10-12-28(13-11-17)21-9-6-18(24)15-26-21;18-13-1-4-16(20-10-13)22-7-5-12(6-8-22)9-17(24)21-15-3-2-14(23)11-19-15;1-2-4-5-3-1;/h6-9,15-17H,10-14H2,1-5H3,(H,25,27,29);1-4,10-12,23H,5-9H2,(H,19,21,24);1-4H2;1H
InChIKeyWFZZZRQUGYHDGI-UHFFFAOYSA-N
XLogP10.06
TPSA154.93 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds10
Heavy Atoms61
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500916.47
LogP ≤ 510.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C1CCOC1.CC(C)(C)[Si](C)(C)Oc1ccc(NC(=O)CC2CCN(c3ccc(Cl)cn3)CC2)nc1.Cl.O=C(CC1CCN(c2ccc(Cl)cn2)CC1)Nc1ccc(O)cn1.
What is the InChIKey of 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?
The InChIKey is WFZZZRQUGYHDGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33ClN4O2Si.C17H19ClN4O2.C4H8O.ClH/c1-23(2,3)31(4,5)30-19-7-8-20(25-16-19)27-22(29)14-17-10-12-28(13-11-17)21-9-6-18(24)15-26-21;18-13-1-4-16(20-10-13)22-7-5-12(6-8-22)9-17(24)21-15-3-2-14(23)11-19-15;1-2-4-5-3-1;/h6-9,15-17H,10-14H2,1-5H3,(H,25,27,29);1-4,10-12,23H,5-9H2,(H,19,21,24);1-4H2;1H.
What are the key properties of 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?
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 has a molecular weight of 916.47 g/mol, XLogP of 10.06, 10 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 161372436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).