N-ethyl-1-[2-(4-methoxyphenyl)ethyl]-N-[(1-methylpyrazol-4-yl)methyl]-6-oxopiperidine-3-carboxamide

C22H30N4O3 — CID 24791441

IUPACN-ethyl-1-[2-(4-methoxyphenyl)ethyl]-N-[(1-methylpyrazol-4-yl)methyl]-6-oxopiperidine-3-carboxamide
SMILESCCN(Cc1cnn(C)c1)C(=O)C1CCC(=O)N(CCc2ccc(OC)cc2)C1
InChIInChI=1S/C22H30N4O3/c1-4-25(15-18-13-23-24(2)14-18)22(28)19-7-10-21(27)26(16-19)12-11-17-5-8-20(29-3)9-6-17/h5-6,8-9,13-14,19H,4,7,10-12,15-16H2,1-3H3
InChIKeyQVLZYCDCPLNMPR-UHFFFAOYSA-N
MW398.51 g/mol
LogP2.26
Rot. Bonds8

About N-ethyl-1-[2-(4-methoxyphenyl)ethyl]-N-[(1-methylpyrazol-4-yl)methyl]-6-oxopiperidine-3-carboxamide

N-ethyl-1-[2-(4-methoxyphenyl)ethyl]-N-[(1-methylpyrazol-4-yl)methyl]-6-oxopiperidine-3-carboxamide (PubChem CID 24791441) has the molecular formula C22H30N4O3 and a molecular weight of 398.51 g/mol. Its IUPAC name is N-ethyl-1-[2-(4-methoxyphenyl)ethyl]-N-[(1-methylpyrazol-4-yl)methyl]-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-1-[2-(4-methoxyphenyl)ethyl]-N-[(1-methylpyrazol-4-yl)methyl]-6-oxopiperidine-3-carboxamide
PubChem CID24791441
Molecular FormulaC22H30N4O3
Molecular Weight398.51 g/mol
Exact Mass398.23
IUPAC NameN-ethyl-1-[2-(4-methoxyphenyl)ethyl]-N-[(1-methylpyrazol-4-yl)methyl]-6-oxopiperidine-3-carboxamide
SMILESCCN(Cc1cnn(C)c1)C(=O)C1CCC(=O)N(CCc2ccc(OC)cc2)C1
InChIInChI=1S/C22H30N4O3/c1-4-25(15-18-13-23-24(2)14-18)22(28)19-7-10-21(27)26(16-19)12-11-17-5-8-20(29-3)9-6-17/h5-6,8-9,13-14,19H,4,7,10-12,15-16H2,1-3H3
InChIKeyQVLZYCDCPLNMPR-UHFFFAOYSA-N
XLogP2.26
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.51
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-methoxyphenyl)-N-[(1-methyl-1H-pyrazol-4-yl)methyl]propanamide
CID 1244077
{1-[(1-isopropyl-1H-pyrazol-4-yl)methyl]-3-piperidinyl}(3-methoxyphenyl)methanone
CID 16190521
N-[3-(3,5-dimethyl-1H-pyrazol-1-yl)propyl]-1-[2-(4-methoxyphenyl)ethyl]-6-oxo-3-piperidinecarboxamide
CID 24790433
N-(3'-methoxy-4-biphenylyl)-1-[(1-methyl-1H-pyrazol-4-yl)methyl]-3-piperidinecarboxamide
CID 24817668
1-(2-methoxybenzyl)-6-oxo-N-[2-(1H-pyrazol-4-yl)ethyl]-3-piperidinecarboxamide
CID 24818964
1-(4-methoxybenzyl)-N-[3-(1H-pyrazol-1-yl)phenyl]-3-piperidinecarboxamide
CID 24819389
(1R)-7-ethoxy-1,3-dimethyl-5-(1-methylpyrazol-4-yl)-1H-3-benzazepin-2-one
CID 168298613
N-[(1-ethyl-1H-pyrazol-4-yl)methyl]-3-(4-methoxyphenyl)propanamide
CID 3238161
US10617680, Example 191
CID 135355518
US11014912, Example 67
CID 141757234
1-(3-methoxybenzyl)-6-oxo-N-[2-(1H-pyrazol-1-yl)ethyl]-3-piperidinecarboxamide
CID 24790803
[4-[1-[(1-Methylpyrazol-4-yl)methyl]piperidin-4-yl]oxyphenyl]-piperidin-1-ylmethanone
CID 24791256

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[2-(4-methoxyphenyl)ethyl]-N-[(1-methylpyrazol-4-yl)methyl]-6-oxopiperidine-3-carboxamide?
The IUPAC name of N-ethyl-1-[2-(4-methoxyphenyl)ethyl]-N-[(1-methylpyrazol-4-yl)methyl]-6-oxopiperidine-3-carboxamide (CID 24791441) is N-ethyl-1-[2-(4-methoxyphenyl)ethyl]-N-[(1-methylpyrazol-4-yl)methyl]-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for N-ethyl-1-[2-(4-methoxyphenyl)ethyl]-N-[(1-methylpyrazol-4-yl)methyl]-6-oxopiperidine-3-carboxamide?
The canonical SMILES for N-ethyl-1-[2-(4-methoxyphenyl)ethyl]-N-[(1-methylpyrazol-4-yl)methyl]-6-oxopiperidine-3-carboxamide is CCN(Cc1cnn(C)c1)C(=O)C1CCC(=O)N(CCc2ccc(OC)cc2)C1.
What is the InChIKey of N-ethyl-1-[2-(4-methoxyphenyl)ethyl]-N-[(1-methylpyrazol-4-yl)methyl]-6-oxopiperidine-3-carboxamide?
The InChIKey is QVLZYCDCPLNMPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O3/c1-4-25(15-18-13-23-24(2)14-18)22(28)19-7-10-21(27)26(16-19)12-11-17-5-8-20(29-3)9-6-17/h5-6,8-9,13-14,19H,4,7,10-12,15-16H2,1-3H3.
What are the key properties of N-ethyl-1-[2-(4-methoxyphenyl)ethyl]-N-[(1-methylpyrazol-4-yl)methyl]-6-oxopiperidine-3-carboxamide?
N-ethyl-1-[2-(4-methoxyphenyl)ethyl]-N-[(1-methylpyrazol-4-yl)methyl]-6-oxopiperidine-3-carboxamide has a molecular weight of 398.51 g/mol, XLogP of 2.26, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[2-(4-methoxyphenyl)ethyl]-N-[(1-methylpyrazol-4-yl)methyl]-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 24791441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).