N,N-dimethyl-1-(5-methyl-1H-pyrazole-4-carbonyl)-3-[(2-phenylphenyl)methyl]piperidine-3-carboxamide

C26H30N4O2 — CID 110232013

IUPACN,N-dimethyl-1-(5-methyl-1H-pyrazole-4-carbonyl)-3-[(2-phenylphenyl)methyl]piperidine-3-carboxamide
SMILESCc1[nH]ncc1C(=O)N1CCCC(Cc2ccccc2-c2ccccc2)(C(=O)N(C)C)C1
InChIInChI=1S/C26H30N4O2/c1-19-23(17-27-28-19)24(31)30-15-9-14-26(18-30,25(32)29(2)3)16-21-12-7-8-13-22(21)20-10-5-4-6-11-20/h4-8,10-13,17H,9,14-16,18H2,1-3H3,(H,27,28)
InChIKeyKHHKTSRAVHUOJI-UHFFFAOYSA-N
MW430.55 g/mol
LogP3.94
Rot. Bonds5

About N,N-dimethyl-1-(5-methyl-1H-pyrazole-4-carbonyl)-3-[(2-phenylphenyl)methyl]piperidine-3-carboxamide

N,N-dimethyl-1-(5-methyl-1H-pyrazole-4-carbonyl)-3-[(2-phenylphenyl)methyl]piperidine-3-carboxamide (PubChem CID 110232013) has the molecular formula C26H30N4O2 and a molecular weight of 430.55 g/mol. Its IUPAC name is N,N-dimethyl-1-(5-methyl-1H-pyrazole-4-carbonyl)-3-[(2-phenylphenyl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-1-(5-methyl-1H-pyrazole-4-carbonyl)-3-[(2-phenylphenyl)methyl]piperidine-3-carboxamide
PubChem CID110232013
Molecular FormulaC26H30N4O2
Molecular Weight430.55 g/mol
Exact Mass430.24
IUPAC NameN,N-dimethyl-1-(5-methyl-1H-pyrazole-4-carbonyl)-3-[(2-phenylphenyl)methyl]piperidine-3-carboxamide
SMILESCc1[nH]ncc1C(=O)N1CCCC(Cc2ccccc2-c2ccccc2)(C(=O)N(C)C)C1
InChIInChI=1S/C26H30N4O2/c1-19-23(17-27-28-19)24(31)30-15-9-14-26(18-30,25(32)29(2)3)16-21-12-7-8-13-22(21)20-10-5-4-6-11-20/h4-8,10-13,17H,9,14-16,18H2,1-3H3,(H,27,28)
InChIKeyKHHKTSRAVHUOJI-UHFFFAOYSA-N
XLogP3.94
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.55
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-N,N-dimethyl-3-[(2-phenylphenyl)methyl]-1-(pyrazine-2-carbonyl)piperidine-3-carboxamide
CID 92605059
(3S)-N,N-dimethyl-1-(5-methylthiophene-2-carbonyl)-3-[(2-pyrimidin-5-ylphenyl)methyl]piperidine-3-carboxamide
CID 92559316
1-(cyclobutanecarbonyl)-N,N-dimethyl-3-[(2-phenylphenyl)methyl]pyrrolidine-3-carboxamide
CID 110230861
N,N-dimethyl-1-(5-methylthiophene-3-carbonyl)-3-[(2-pyrimidin-5-ylphenyl)methyl]piperidine-3-carboxamide
CID 110232679
1-(cyclobutanecarbonyl)-N,N-dimethyl-3-[(2-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide
CID 110231805
(3S)-N-(2-methylpropyl)-1-(5-methyl-1H-pyrazole-4-carbonyl)-3-[(2-pyridin-3-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 92606202
N-(2-methylpropyl)-1-(5-methyl-1H-pyrazole-4-carbonyl)-3-[(2-pyridin-3-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 110231108
(3S)-1-(3,3-dimethylbutanoyl)-N,N-dimethyl-3-[(2-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide
CID 92552155
(3R)-N-ethyl-3-[(2-phenylphenyl)methyl]-1-(1H-pyrazole-5-carbonyl)piperidine-3-carboxamide
CID 92592029
(3S)-1-(3-methoxypropanoyl)-N,N-dimethyl-3-[(2-pyrimidin-5-ylphenyl)methyl]piperidine-3-carboxamide
CID 92604906
1-(2-methoxybenzoyl)-3-[(2-phenylphenyl)methyl]piperidine-3-carboxamide
CID 110232048
(2R)-1'-(5-methyl-1H-pyrazole-4-carbonyl)spiro[1,3-dihydroquinazoline-2,3'-piperidine]-4-one
CID 95807908

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-(5-methyl-1H-pyrazole-4-carbonyl)-3-[(2-phenylphenyl)methyl]piperidine-3-carboxamide?
The IUPAC name of N,N-dimethyl-1-(5-methyl-1H-pyrazole-4-carbonyl)-3-[(2-phenylphenyl)methyl]piperidine-3-carboxamide (CID 110232013) is N,N-dimethyl-1-(5-methyl-1H-pyrazole-4-carbonyl)-3-[(2-phenylphenyl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for N,N-dimethyl-1-(5-methyl-1H-pyrazole-4-carbonyl)-3-[(2-phenylphenyl)methyl]piperidine-3-carboxamide?
The canonical SMILES for N,N-dimethyl-1-(5-methyl-1H-pyrazole-4-carbonyl)-3-[(2-phenylphenyl)methyl]piperidine-3-carboxamide is Cc1[nH]ncc1C(=O)N1CCCC(Cc2ccccc2-c2ccccc2)(C(=O)N(C)C)C1.
What is the InChIKey of N,N-dimethyl-1-(5-methyl-1H-pyrazole-4-carbonyl)-3-[(2-phenylphenyl)methyl]piperidine-3-carboxamide?
The InChIKey is KHHKTSRAVHUOJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O2/c1-19-23(17-27-28-19)24(31)30-15-9-14-26(18-30,25(32)29(2)3)16-21-12-7-8-13-22(21)20-10-5-4-6-11-20/h4-8,10-13,17H,9,14-16,18H2,1-3H3,(H,27,28).
What are the key properties of N,N-dimethyl-1-(5-methyl-1H-pyrazole-4-carbonyl)-3-[(2-phenylphenyl)methyl]piperidine-3-carboxamide?
N,N-dimethyl-1-(5-methyl-1H-pyrazole-4-carbonyl)-3-[(2-phenylphenyl)methyl]piperidine-3-carboxamide has a molecular weight of 430.55 g/mol, XLogP of 3.94, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-(5-methyl-1H-pyrazole-4-carbonyl)-3-[(2-phenylphenyl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 110232013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).