N-[2-(3-methoxyphenyl)-1-[1-(2-phenylpropanoyl)piperidin-4-yl]ethyl]-N,1-dimethylpyrazole-3-carboxamide

C29H36N4O3 — CID 45190022

IUPACN-[2-(3-methoxyphenyl)-1-[1-(2-phenylpropanoyl)piperidin-4-yl]ethyl]-N,1-dimethylpyrazole-3-carboxamide
SMILESCOc1cccc(CC(C2CCN(C(=O)C(C)c3ccccc3)CC2)N(C)C(=O)c2ccn(C)n2)c1
InChIInChI=1S/C29H36N4O3/c1-21(23-10-6-5-7-11-23)28(34)33-17-13-24(14-18-33)27(20-22-9-8-12-25(19-22)36-4)32(3)29(35)26-15-16-31(2)30-26/h5-12,15-16,19,21,24,27H,13-14,17-18,20H2,1-4H3
InChIKeyPHPCLSUEACYHSA-UHFFFAOYSA-N
MW488.63 g/mol
LogP4.15
Rot. Bonds8

About N-[2-(3-methoxyphenyl)-1-[1-(2-phenylpropanoyl)piperidin-4-yl]ethyl]-N,1-dimethylpyrazole-3-carboxamide

N-[2-(3-methoxyphenyl)-1-[1-(2-phenylpropanoyl)piperidin-4-yl]ethyl]-N,1-dimethylpyrazole-3-carboxamide (PubChem CID 45190022) has the molecular formula C29H36N4O3 and a molecular weight of 488.63 g/mol. Its IUPAC name is N-[2-(3-methoxyphenyl)-1-[1-(2-phenylpropanoyl)piperidin-4-yl]ethyl]-N,1-dimethylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(3-methoxyphenyl)-1-[1-(2-phenylpropanoyl)piperidin-4-yl]ethyl]-N,1-dimethylpyrazole-3-carboxamide
PubChem CID45190022
Molecular FormulaC29H36N4O3
Molecular Weight488.63 g/mol
Exact Mass488.28
IUPAC NameN-[2-(3-methoxyphenyl)-1-[1-(2-phenylpropanoyl)piperidin-4-yl]ethyl]-N,1-dimethylpyrazole-3-carboxamide
SMILESCOc1cccc(CC(C2CCN(C(=O)C(C)c3ccccc3)CC2)N(C)C(=O)c2ccn(C)n2)c1
InChIInChI=1S/C29H36N4O3/c1-21(23-10-6-5-7-11-23)28(34)33-17-13-24(14-18-33)27(20-22-9-8-12-25(19-22)36-4)32(3)29(35)26-15-16-31(2)30-26/h5-12,15-16,19,21,24,27H,13-14,17-18,20H2,1-4H3
InChIKeyPHPCLSUEACYHSA-UHFFFAOYSA-N
XLogP4.15
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.63
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(3-methoxyphenyl)-1-[1-(1-methylpiperidine-2-carbonyl)piperidin-4-yl]ethyl]-N,1-dimethylpyrazole-3-carboxamide
CID 45190136
N-[(1S)-2-(3-methoxyphenyl)-1-[1-(6-methylpyridine-2-carbonyl)piperidin-4-yl]ethyl]-N,1-dimethylpyrazole-3-carboxamide
CID 25365472
N-[(1S)-1-[1-[(1S)-cyclohex-3-ene-1-carbonyl]piperidin-4-yl]-2-(3-methoxyphenyl)ethyl]-N,1-dimethylpyrazole-3-carboxamide
CID 42273380
N-[(1R)-2-(3-methoxyphenyl)-1-[1-[(2S)-oxolane-2-carbonyl]piperidin-4-yl]ethyl]-N,1-dimethylpyrazole-3-carboxamide
CID 42433571
N-[(1R)-1-[1-[(1S)-cyclohex-3-ene-1-carbonyl]piperidin-4-yl]-2-(3-methoxyphenyl)ethyl]-N,1-dimethylpyrazole-3-carboxamide
CID 42273385
N-[1-[1-(2-methoxybenzoyl)piperidin-4-yl]-2-phenylethyl]-N,1-dimethylpyrazole-3-carboxamide
CID 45185640
methyl 2-[4-[(1S)-1-[methyl-(1-methylpyrazole-3-carbonyl)amino]-2-phenylethyl]piperidine-1-carbonyl]benzoate
CID 42319511
N-[(1R)-1-[1-(cyclopentene-1-carbonyl)piperidin-4-yl]-2-phenylethyl]-N,1-dimethylpyrazole-3-carboxamide
CID 42448955
N,1-dimethyl-N-[(1S)-1-[1-(2-methylsulfanylbenzoyl)piperidin-4-yl]-2-phenylethyl]pyrazole-3-carboxamide
CID 26322216
N-[(1S)-1-[1-[(4-ethoxyphenyl)methyl]piperidin-4-yl]-2-phenylethyl]-N,1-dimethylpyrazole-3-carboxamide
CID 42237070
N-[(1R)-1-[1-[(3-chlorophenyl)methyl]piperidin-4-yl]-2-phenylethyl]-N,1-dimethylpyrazole-3-carboxamide
CID 42368849
N,1-dimethyl-N-[(1S)-2-phenyl-1-[1-(quinoxaline-6-carbonyl)piperidin-4-yl]ethyl]pyrazole-3-carboxamide
CID 42482388

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methoxyphenyl)-1-[1-(2-phenylpropanoyl)piperidin-4-yl]ethyl]-N,1-dimethylpyrazole-3-carboxamide?
The IUPAC name of N-[2-(3-methoxyphenyl)-1-[1-(2-phenylpropanoyl)piperidin-4-yl]ethyl]-N,1-dimethylpyrazole-3-carboxamide (CID 45190022) is N-[2-(3-methoxyphenyl)-1-[1-(2-phenylpropanoyl)piperidin-4-yl]ethyl]-N,1-dimethylpyrazole-3-carboxamide.
What is the SMILES notation for N-[2-(3-methoxyphenyl)-1-[1-(2-phenylpropanoyl)piperidin-4-yl]ethyl]-N,1-dimethylpyrazole-3-carboxamide?
The canonical SMILES for N-[2-(3-methoxyphenyl)-1-[1-(2-phenylpropanoyl)piperidin-4-yl]ethyl]-N,1-dimethylpyrazole-3-carboxamide is COc1cccc(CC(C2CCN(C(=O)C(C)c3ccccc3)CC2)N(C)C(=O)c2ccn(C)n2)c1.
What is the InChIKey of N-[2-(3-methoxyphenyl)-1-[1-(2-phenylpropanoyl)piperidin-4-yl]ethyl]-N,1-dimethylpyrazole-3-carboxamide?
The InChIKey is PHPCLSUEACYHSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H36N4O3/c1-21(23-10-6-5-7-11-23)28(34)33-17-13-24(14-18-33)27(20-22-9-8-12-25(19-22)36-4)32(3)29(35)26-15-16-31(2)30-26/h5-12,15-16,19,21,24,27H,13-14,17-18,20H2,1-4H3.
What are the key properties of N-[2-(3-methoxyphenyl)-1-[1-(2-phenylpropanoyl)piperidin-4-yl]ethyl]-N,1-dimethylpyrazole-3-carboxamide?
N-[2-(3-methoxyphenyl)-1-[1-(2-phenylpropanoyl)piperidin-4-yl]ethyl]-N,1-dimethylpyrazole-3-carboxamide has a molecular weight of 488.63 g/mol, XLogP of 4.15, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methoxyphenyl)-1-[1-(2-phenylpropanoyl)piperidin-4-yl]ethyl]-N,1-dimethylpyrazole-3-carboxamide is sourced from PubChem (CID 45190022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).