N-[(1S)-2-imidazol-1-yl-1-phenylethyl]-4-(1,2,4-triazol-4-yl)piperidine-1-carboxamide

C19H23N7O — CID 126429651

IUPACN-[(1S)-2-imidazol-1-yl-1-phenylethyl]-4-(1,2,4-triazol-4-yl)piperidine-1-carboxamide
SMILESO=C(N[C@H](Cn1ccnc1)c1ccccc1)N1CCC(n2cnnc2)CC1
InChIInChI=1S/C19H23N7O/c27-19(25-9-6-17(7-10-25)26-14-21-22-15-26)23-18(12-24-11-8-20-13-24)16-4-2-1-3-5-16/h1-5,8,11,13-15,17-18H,6-7,9-10,12H2,(H,23,27)/t18-/m1/s1
InChIKeyQIWDSCSGMQTVSI-GOSISDBHSA-N
MW365.44 g/mol
LogP2.26
Rot. Bonds5

About N-[(1S)-2-imidazol-1-yl-1-phenylethyl]-4-(1,2,4-triazol-4-yl)piperidine-1-carboxamide

N-[(1S)-2-imidazol-1-yl-1-phenylethyl]-4-(1,2,4-triazol-4-yl)piperidine-1-carboxamide (PubChem CID 126429651) has the molecular formula C19H23N7O and a molecular weight of 365.44 g/mol. Its IUPAC name is N-[(1S)-2-imidazol-1-yl-1-phenylethyl]-4-(1,2,4-triazol-4-yl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[(1S)-2-imidazol-1-yl-1-phenylethyl]-4-(1,2,4-triazol-4-yl)piperidine-1-carboxamide
PubChem CID126429651
Molecular FormulaC19H23N7O
Molecular Weight365.44 g/mol
Exact Mass365.20
IUPAC NameN-[(1S)-2-imidazol-1-yl-1-phenylethyl]-4-(1,2,4-triazol-4-yl)piperidine-1-carboxamide
SMILESO=C(N[C@H](Cn1ccnc1)c1ccccc1)N1CCC(n2cnnc2)CC1
InChIInChI=1S/C19H23N7O/c27-19(25-9-6-17(7-10-25)26-14-21-22-15-26)23-18(12-24-11-8-20-13-24)16-4-2-1-3-5-16/h1-5,8,11,13-15,17-18H,6-7,9-10,12H2,(H,23,27)/t18-/m1/s1
InChIKeyQIWDSCSGMQTVSI-GOSISDBHSA-N
XLogP2.26
TPSA80.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-imidazol-1-yl-1-phenylethyl)oxolane-2-carboxamide
CID 45178755
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3-[(1S)-2-imidazol-1-yl-1-phenylethyl]-1-methyl-1-(oxan-4-yl)urea
CID 126448954
3-[(1R)-2-imidazol-1-yl-1-phenylethyl]-1-methyl-1-(oxan-4-yl)urea
CID 126448953
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CID 162635076
N-(2-imidazol-1-yl-1-phenylethyl)-4-pyridin-4-ylbenzamide
CID 68512339
ethane;N-(2-imidazol-1-yl-1-phenylethyl)-4-phenylbenzamide
CID 161441611
1-(4-aminocyclohexyl)-N-[(1S)-2-imidazol-1-yl-1-phenylethyl]triazole-4-carboxamide
CID 98256590
2-(cyclohexen-1-yl)-2-hydroxy-N-(2-imidazol-1-yl-1-phenylethyl)acetamide
CID 166334268
N-[(1R)-2-imidazol-1-yl-1-phenylethyl]-2-propylsulfanylacetamide
CID 124845301
N-(2-imidazol-1-yl-1-phenylethyl)-2H-benzotriazole-5-carboxamide
CID 77089106
2-(4-amino-2-methylpyrrolidin-1-yl)-N-(2-imidazol-1-yl-1-phenylethyl)-2-oxoacetamide
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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-2-imidazol-1-yl-1-phenylethyl]-4-(1,2,4-triazol-4-yl)piperidine-1-carboxamide?
The IUPAC name of N-[(1S)-2-imidazol-1-yl-1-phenylethyl]-4-(1,2,4-triazol-4-yl)piperidine-1-carboxamide (CID 126429651) is N-[(1S)-2-imidazol-1-yl-1-phenylethyl]-4-(1,2,4-triazol-4-yl)piperidine-1-carboxamide.
What is the SMILES notation for N-[(1S)-2-imidazol-1-yl-1-phenylethyl]-4-(1,2,4-triazol-4-yl)piperidine-1-carboxamide?
The canonical SMILES for N-[(1S)-2-imidazol-1-yl-1-phenylethyl]-4-(1,2,4-triazol-4-yl)piperidine-1-carboxamide is O=C(N[C@H](Cn1ccnc1)c1ccccc1)N1CCC(n2cnnc2)CC1.
What is the InChIKey of N-[(1S)-2-imidazol-1-yl-1-phenylethyl]-4-(1,2,4-triazol-4-yl)piperidine-1-carboxamide?
The InChIKey is QIWDSCSGMQTVSI-GOSISDBHSA-N. The full InChI is InChI=1S/C19H23N7O/c27-19(25-9-6-17(7-10-25)26-14-21-22-15-26)23-18(12-24-11-8-20-13-24)16-4-2-1-3-5-16/h1-5,8,11,13-15,17-18H,6-7,9-10,12H2,(H,23,27)/t18-/m1/s1.
What are the key properties of N-[(1S)-2-imidazol-1-yl-1-phenylethyl]-4-(1,2,4-triazol-4-yl)piperidine-1-carboxamide?
N-[(1S)-2-imidazol-1-yl-1-phenylethyl]-4-(1,2,4-triazol-4-yl)piperidine-1-carboxamide has a molecular weight of 365.44 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-2-imidazol-1-yl-1-phenylethyl]-4-(1,2,4-triazol-4-yl)piperidine-1-carboxamide is sourced from PubChem (CID 126429651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).