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

C24H29N7O3 — CID 3232426

IUPAC2-acetamido-3-(3-methoxyphenyl)-N-[1-(1-phenyltetrazol-5-yl)piperidin-4-yl]propanamide
SMILESCOc1cccc(CC(NC(C)=O)C(=O)NC2CCN(c3nnnn3-c3ccccc3)CC2)c1
InChIInChI=1S/C24H29N7O3/c1-17(32)25-22(16-18-7-6-10-21(15-18)34-2)23(33)26-19-11-13-30(14-12-19)24-27-28-29-31(24)20-8-4-3-5-9-20/h3-10,15,19,22H,11-14,16H2,1-2H3,(H,25,32)(H,26,33)
InChIKeyDRTKQWHEBWYPMA-UHFFFAOYSA-N
MW463.54 g/mol
LogP1.50
Rot. Bonds8

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

2-acetamido-3-(3-methoxyphenyl)-N-[1-(1-phenyltetrazol-5-yl)piperidin-4-yl]propanamide (PubChem CID 3232426) has the molecular formula C24H29N7O3 and a molecular weight of 463.54 g/mol. Its IUPAC name is 2-acetamido-3-(3-methoxyphenyl)-N-[1-(1-phenyltetrazol-5-yl)piperidin-4-yl]propanamide.

Molecular Properties

Compound Name2-acetamido-3-(3-methoxyphenyl)-N-[1-(1-phenyltetrazol-5-yl)piperidin-4-yl]propanamide
PubChem CID3232426
Molecular FormulaC24H29N7O3
Molecular Weight463.54 g/mol
Exact Mass463.23
IUPAC Name2-acetamido-3-(3-methoxyphenyl)-N-[1-(1-phenyltetrazol-5-yl)piperidin-4-yl]propanamide
SMILESCOc1cccc(CC(NC(C)=O)C(=O)NC2CCN(c3nnnn3-c3ccccc3)CC2)c1
InChIInChI=1S/C24H29N7O3/c1-17(32)25-22(16-18-7-6-10-21(15-18)34-2)23(33)26-19-11-13-30(14-12-19)24-27-28-29-31(24)20-8-4-3-5-9-20/h3-10,15,19,22H,11-14,16H2,1-2H3,(H,25,32)(H,26,33)
InChIKeyDRTKQWHEBWYPMA-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

2-Acetylamino-3-(2-methoxy-phenyl)-N-[1-(1-phenyl-1H-tetrazol-5-yl)-piperidin-4-yl]-propionamide
CID 644650
2-acetamido-3-(4-methoxyphenyl)-N-[1-(1-phenyl-5-tetrazolyl)-4-piperidinyl]propanamide
CID 652603
N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-4-(tetrazol-1-yl)benzamide
CID 2999768
(2S,5R)-5-[4-[1-(2,6-dimethylphenyl)tetrazol-5-yl]oxyphenyl]pyrrolidine-2-carboxamide
CID 155537146
(2R)-2-[[amino-[[2-[4-(tetrazol-1-yl)phenyl]acetyl]amino]methylidene]amino]-3-cyclohexyl-N-[(4-fluoro-3-methoxyphenyl)methyl]propanamide
CID 90285211
2-acetamido-3-(2,3-dimethoxyphenyl)-N-[1-(1-phenyltetrazol-5-yl)piperidin-4-yl]propanamide
CID 3231808
8-[(4-Methoxyphenyl)-[1-(4-methoxyphenyl)tetrazol-5-yl]methyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
CID 51360799
8-[(1-Butyltetrazol-5-yl)-(4-methoxyphenyl)methyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
CID 51360844
(2S,5R)-5-[4-[1-(2-tert-butylphenyl)tetrazol-5-yl]oxyphenyl]pyrrolidine-2-carboxamide
CID 149464333
(2S,5R)-1-methyl-5-[4-[1-[2-(trifluoromethyl)phenyl]tetrazol-5-yl]oxyphenyl]pyrrolidine-2-carboxamide
CID 155510624
(2S,5R)-5-[4-[1-(5-methoxy-2-methylphenyl)tetrazol-5-yl]oxyphenyl]pyrrolidine-2-carboxamide
CID 155554021
(2S,5R)-N,N-dimethyl-5-[4-[1-[2-(trifluoromethoxy)phenyl]tetrazol-5-yl]oxyphenyl]pyrrolidine-2-carboxamide
CID 155557721

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-3-(3-methoxyphenyl)-N-[1-(1-phenyltetrazol-5-yl)piperidin-4-yl]propanamide?
The IUPAC name of 2-acetamido-3-(3-methoxyphenyl)-N-[1-(1-phenyltetrazol-5-yl)piperidin-4-yl]propanamide (CID 3232426) is 2-acetamido-3-(3-methoxyphenyl)-N-[1-(1-phenyltetrazol-5-yl)piperidin-4-yl]propanamide.
What is the SMILES notation for 2-acetamido-3-(3-methoxyphenyl)-N-[1-(1-phenyltetrazol-5-yl)piperidin-4-yl]propanamide?
The canonical SMILES for 2-acetamido-3-(3-methoxyphenyl)-N-[1-(1-phenyltetrazol-5-yl)piperidin-4-yl]propanamide is COc1cccc(CC(NC(C)=O)C(=O)NC2CCN(c3nnnn3-c3ccccc3)CC2)c1.
What is the InChIKey of 2-acetamido-3-(3-methoxyphenyl)-N-[1-(1-phenyltetrazol-5-yl)piperidin-4-yl]propanamide?
The InChIKey is DRTKQWHEBWYPMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N7O3/c1-17(32)25-22(16-18-7-6-10-21(15-18)34-2)23(33)26-19-11-13-30(14-12-19)24-27-28-29-31(24)20-8-4-3-5-9-20/h3-10,15,19,22H,11-14,16H2,1-2H3,(H,25,32)(H,26,33).
What are the key properties of 2-acetamido-3-(3-methoxyphenyl)-N-[1-(1-phenyltetrazol-5-yl)piperidin-4-yl]propanamide?
2-acetamido-3-(3-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-(3-methoxyphenyl)-N-[1-(1-phenyltetrazol-5-yl)piperidin-4-yl]propanamide is sourced from PubChem (CID 3232426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).