2-acetamido-3-(4-methoxyphenyl)-N-[1-(1-phenyltetrazol-5-yl)piperidin-4-yl]propanamide

C24H29N7O3 — CID 652603

IUPAC2-acetamido-3-(4-methoxyphenyl)-N-[1-(1-phenyltetrazol-5-yl)piperidin-4-yl]propanamide
SMILESCOc1ccc(CC(NC(C)=O)C(=O)NC2CCN(c3nnnn3-c3ccccc3)CC2)cc1
InChIInChI=1S/C24H29N7O3/c1-17(32)25-22(16-18-8-10-21(34-2)11-9-18)23(33)26-19-12-14-30(15-13-19)24-27-28-29-31(24)20-6-4-3-5-7-20/h3-11,19,22H,12-16H2,1-2H3,(H,25,32)(H,26,33)
InChIKeyHQJYBEJZCHGQLI-UHFFFAOYSA-N
MW463.54 g/mol
LogP1.50
Rot. Bonds8

About 2-acetamido-3-(4-methoxyphenyl)-N-[1-(1-phenyltetrazol-5-yl)piperidin-4-yl]propanamide

2-acetamido-3-(4-methoxyphenyl)-N-[1-(1-phenyltetrazol-5-yl)piperidin-4-yl]propanamide (PubChem CID 652603) has the molecular formula C24H29N7O3 and a molecular weight of 463.54 g/mol. Its IUPAC name is 2-acetamido-3-(4-methoxyphenyl)-N-[1-(1-phenyltetrazol-5-yl)piperidin-4-yl]propanamide.

Molecular Properties

Compound Name2-acetamido-3-(4-methoxyphenyl)-N-[1-(1-phenyltetrazol-5-yl)piperidin-4-yl]propanamide
PubChem CID652603
Molecular FormulaC24H29N7O3
Molecular Weight463.54 g/mol
Exact Mass463.23
IUPAC Name2-acetamido-3-(4-methoxyphenyl)-N-[1-(1-phenyltetrazol-5-yl)piperidin-4-yl]propanamide
SMILESCOc1ccc(CC(NC(C)=O)C(=O)NC2CCN(c3nnnn3-c3ccccc3)CC2)cc1
InChIInChI=1S/C24H29N7O3/c1-17(32)25-22(16-18-8-10-21(34-2)11-9-18)23(33)26-19-12-14-30(15-13-19)24-27-28-29-31(24)20-6-4-3-5-7-20/h3-11,19,22H,12-16H2,1-2H3,(H,25,32)(H,26,33)
InChIKeyHQJYBEJZCHGQLI-UHFFFAOYSA-N
XLogP1.50
TPSA114.27 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.54
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-{2-[(3R,4S)-4-({2-methoxy-5-[5-(trifluoromethyl)-1H-tetrazol-1-yl]benzyl}amino)-3-phenylpiperidin-1-yl]-2-oxoethyl}acetamide
CID 11852872
N-[2-[(3R,4R)-4-[[2-methoxy-5-[5-(trifluoromethyl)tetrazol-1-yl]phenyl]methylamino]-3-phenylpiperidin-1-yl]-2-oxoethyl]acetamide;hydrochloride
CID 57402691
N-[2-[(3R,4S)-4-[[2-methoxy-5-[5-(trifluoromethyl)tetrazol-1-yl]phenyl]methylamino]-3-phenylpiperidin-1-yl]-2-oxoethyl]-N-methylacetamide;hydrochloride
CID 57400922
1-[[(5-amino-1H-tetrazol-1-yl)acetyl](isobutyl)amino]-N-(4-methoxyphenyl)cyclohexanecarboxamide
CID 1044828
N-(2-(4-Methoxyphenyl)ethyl)-2-((1-phenyl-1H-tetraazol-5-YL)thio)acetamide
CID 985316
N-[1-[4-methoxy-3-[[[(2S,3S)-2-phenylpiperidin-3-yl]amino]methyl]phenyl]tetrazol-5-yl]acetamide;dihydrochloride
CID 18667231
2-Acetylamino-3-(2-methoxy-phenyl)-N-[1-(1-phenyl-1H-tetrazol-5-yl)-piperidin-4-yl]-propionamide
CID 644650
N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-4-(tetrazol-1-yl)benzamide
CID 2999768
2-Acetylamino-3-(3-methoxy-phenyl)-N-[1-(1-phenyl-1H-tetrazol-5-yl)-piperidin-4-yl]-propionamide
CID 3232426
(2S,5R)-5-[4-[1-(2,6-dimethylphenyl)tetrazol-5-yl]oxyphenyl]pyrrolidine-2-carboxamide
CID 155537146
N-[2-[(3S,4R)-4-[[2-methoxy-5-[5-(trifluoromethyl)tetrazol-1-yl]phenyl]methylamino]-3-phenylpiperidin-1-yl]-2-oxoethyl]acetamide
CID 11756817
N-[2-[4-[[2-methoxy-5-[5-(trifluoromethyl)tetrazol-1-yl]phenyl]methylamino]-3-phenylpiperidin-1-yl]-2-oxoethyl]acetamide
CID 23080140

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-3-(4-methoxyphenyl)-N-[1-(1-phenyltetrazol-5-yl)piperidin-4-yl]propanamide?
The IUPAC name of 2-acetamido-3-(4-methoxyphenyl)-N-[1-(1-phenyltetrazol-5-yl)piperidin-4-yl]propanamide (CID 652603) is 2-acetamido-3-(4-methoxyphenyl)-N-[1-(1-phenyltetrazol-5-yl)piperidin-4-yl]propanamide.
What is the SMILES notation for 2-acetamido-3-(4-methoxyphenyl)-N-[1-(1-phenyltetrazol-5-yl)piperidin-4-yl]propanamide?
The canonical SMILES for 2-acetamido-3-(4-methoxyphenyl)-N-[1-(1-phenyltetrazol-5-yl)piperidin-4-yl]propanamide is COc1ccc(CC(NC(C)=O)C(=O)NC2CCN(c3nnnn3-c3ccccc3)CC2)cc1.
What is the InChIKey of 2-acetamido-3-(4-methoxyphenyl)-N-[1-(1-phenyltetrazol-5-yl)piperidin-4-yl]propanamide?
The InChIKey is HQJYBEJZCHGQLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N7O3/c1-17(32)25-22(16-18-8-10-21(34-2)11-9-18)23(33)26-19-12-14-30(15-13-19)24-27-28-29-31(24)20-6-4-3-5-7-20/h3-11,19,22H,12-16H2,1-2H3,(H,25,32)(H,26,33).
What are the key properties of 2-acetamido-3-(4-methoxyphenyl)-N-[1-(1-phenyltetrazol-5-yl)piperidin-4-yl]propanamide?
2-acetamido-3-(4-methoxyphenyl)-N-[1-(1-phenyltetrazol-5-yl)piperidin-4-yl]propanamide has a molecular weight of 463.54 g/mol, XLogP of 1.50, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-3-(4-methoxyphenyl)-N-[1-(1-phenyltetrazol-5-yl)piperidin-4-yl]propanamide is sourced from PubChem (CID 652603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).