(3S)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-N-methyl-6-oxo-1-(3-phenylpropyl)piperidine-3-carboxamide

C24H34N4O2 — CID 25446525

IUPAC(3S)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-N-methyl-6-oxo-1-(3-phenylpropyl)piperidine-3-carboxamide
SMILESCc1cc(C)n(CCCN(C)C(=O)[C@H]2CCC(=O)N(CCCc3ccccc3)C2)n1
InChIInChI=1S/C24H34N4O2/c1-19-17-20(2)28(25-19)16-8-14-26(3)24(30)22-12-13-23(29)27(18-22)15-7-11-21-9-5-4-6-10-21/h4-6,9-10,17,22H,7-8,11-16,18H2,1-3H3/t22-/m0/s1
InChIKeyLKJUFXJSEFYOHK-QFIPXVFZSA-N
MW410.56 g/mol
LogP3.22
Rot. Bonds9

About (3S)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-N-methyl-6-oxo-1-(3-phenylpropyl)piperidine-3-carboxamide

(3S)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-N-methyl-6-oxo-1-(3-phenylpropyl)piperidine-3-carboxamide (PubChem CID 25446525) has the molecular formula C24H34N4O2 and a molecular weight of 410.56 g/mol. Its IUPAC name is (3S)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-N-methyl-6-oxo-1-(3-phenylpropyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-N-methyl-6-oxo-1-(3-phenylpropyl)piperidine-3-carboxamide
PubChem CID25446525
Molecular FormulaC24H34N4O2
Molecular Weight410.56 g/mol
Exact Mass410.27
IUPAC Name(3S)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-N-methyl-6-oxo-1-(3-phenylpropyl)piperidine-3-carboxamide
SMILESCc1cc(C)n(CCCN(C)C(=O)[C@H]2CCC(=O)N(CCCc3ccccc3)C2)n1
InChIInChI=1S/C24H34N4O2/c1-19-17-20(2)28(25-19)16-8-14-26(3)24(30)22-12-13-23(29)27(18-22)15-7-11-21-9-5-4-6-10-21/h4-6,9-10,17,22H,7-8,11-16,18H2,1-3H3/t22-/m0/s1
InChIKeyLKJUFXJSEFYOHK-QFIPXVFZSA-N
XLogP3.22
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.56
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-N-methyl-6-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-3-carboxamide
CID 42593598
N-methyl-5-oxo-1-(3-phenylpropyl)-N-(2-pyridin-4-ylethyl)pyrrolidine-3-carboxamide
CID 113185294
6-oxo-1-(4-phenylbutyl)piperidine-3-carboxylic acid
CID 114333959
1-[2-(4-chlorophenyl)ethyl]-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-6-oxopiperidine-3-carboxamide
CID 24817059
(3R)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1-[2-(4-methoxyphenyl)ethyl]-6-oxopiperidine-3-carboxamide
CID 42241137
(3S)-N-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-N-methyl-6-oxo-1-(2-pyridin-2-ylethyl)piperidine-3-carboxamide
CID 25288010
(3S)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-6-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-3-carboxamide
CID 26407076
N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1-[2-(3-fluorophenyl)ethyl]-6-oxopiperidine-3-carboxamide
CID 24791193
(3S)-N-cyclopropyl-6-oxo-1-(3-phenylpropyl)piperidine-3-carboxamide
CID 97114789
(3S)-N-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-N-methyl-6-oxo-1-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 25288089
(3R)-N-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-1-[(2-fluorophenyl)methyl]-N-methyl-6-oxopiperidine-3-carboxamide
CID 42593770
N-methyl-5-oxo-1-(2-phenylethyl)-N-(2-pyridin-4-ylethyl)pyrrolidine-3-carboxamide
CID 113184178

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-N-methyl-6-oxo-1-(3-phenylpropyl)piperidine-3-carboxamide?
The IUPAC name of (3S)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-N-methyl-6-oxo-1-(3-phenylpropyl)piperidine-3-carboxamide (CID 25446525) is (3S)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-N-methyl-6-oxo-1-(3-phenylpropyl)piperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-N-methyl-6-oxo-1-(3-phenylpropyl)piperidine-3-carboxamide?
The canonical SMILES for (3S)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-N-methyl-6-oxo-1-(3-phenylpropyl)piperidine-3-carboxamide is Cc1cc(C)n(CCCN(C)C(=O)[C@H]2CCC(=O)N(CCCc3ccccc3)C2)n1.
What is the InChIKey of (3S)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-N-methyl-6-oxo-1-(3-phenylpropyl)piperidine-3-carboxamide?
The InChIKey is LKJUFXJSEFYOHK-QFIPXVFZSA-N. The full InChI is InChI=1S/C24H34N4O2/c1-19-17-20(2)28(25-19)16-8-14-26(3)24(30)22-12-13-23(29)27(18-22)15-7-11-21-9-5-4-6-10-21/h4-6,9-10,17,22H,7-8,11-16,18H2,1-3H3/t22-/m0/s1.
What are the key properties of (3S)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-N-methyl-6-oxo-1-(3-phenylpropyl)piperidine-3-carboxamide?
(3S)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-N-methyl-6-oxo-1-(3-phenylpropyl)piperidine-3-carboxamide has a molecular weight of 410.56 g/mol, XLogP of 3.22, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-N-methyl-6-oxo-1-(3-phenylpropyl)piperidine-3-carboxamide is sourced from PubChem (CID 25446525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).