4-(2-oxopyrrolidin-1-yl)-N-[(1R)-1-(2-pyrazol-1-ylphenyl)ethyl]piperidine-1-carboxamide

C21H27N5O2 — CID 124590755

IUPAC4-(2-oxopyrrolidin-1-yl)-N-[(1R)-1-(2-pyrazol-1-ylphenyl)ethyl]piperidine-1-carboxamide
SMILESC[C@@H](NC(=O)N1CCC(N2CCCC2=O)CC1)c1ccccc1-n1cccn1
InChIInChI=1S/C21H27N5O2/c1-16(18-6-2-3-7-19(18)26-13-5-11-22-26)23-21(28)24-14-9-17(10-15-24)25-12-4-8-20(25)27/h2-3,5-7,11,13,16-17H,4,8-10,12,14-15H2,1H3,(H,23,28)/t16-/m1/s1
InChIKeyNJPGHKGADZAGRC-MRXNPFEDSA-N
MW381.48 g/mol
LogP2.73
Rot. Bonds4

About 4-(2-oxopyrrolidin-1-yl)-N-[(1R)-1-(2-pyrazol-1-ylphenyl)ethyl]piperidine-1-carboxamide

4-(2-oxopyrrolidin-1-yl)-N-[(1R)-1-(2-pyrazol-1-ylphenyl)ethyl]piperidine-1-carboxamide (PubChem CID 124590755) has the molecular formula C21H27N5O2 and a molecular weight of 381.48 g/mol. Its IUPAC name is 4-(2-oxopyrrolidin-1-yl)-N-[(1R)-1-(2-pyrazol-1-ylphenyl)ethyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(2-oxopyrrolidin-1-yl)-N-[(1R)-1-(2-pyrazol-1-ylphenyl)ethyl]piperidine-1-carboxamide
PubChem CID124590755
Molecular FormulaC21H27N5O2
Molecular Weight381.48 g/mol
Exact Mass381.22
IUPAC Name4-(2-oxopyrrolidin-1-yl)-N-[(1R)-1-(2-pyrazol-1-ylphenyl)ethyl]piperidine-1-carboxamide
SMILESC[C@@H](NC(=O)N1CCC(N2CCCC2=O)CC1)c1ccccc1-n1cccn1
InChIInChI=1S/C21H27N5O2/c1-16(18-6-2-3-7-19(18)26-13-5-11-22-26)23-21(28)24-14-9-17(10-15-24)25-12-4-8-20(25)27/h2-3,5-7,11,13,16-17H,4,8-10,12,14-15H2,1H3,(H,23,28)/t16-/m1/s1
InChIKeyNJPGHKGADZAGRC-MRXNPFEDSA-N
XLogP2.73
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methoxy-4-methyl-N-[1-(2-pyrazol-1-ylphenyl)ethyl]piperidine-1-carboxamide
CID 86818018
(3S)-3-(hydroxymethyl)-N-[(1R)-1-(2-pyrazol-1-ylphenyl)ethyl]piperidine-1-carboxamide
CID 97089146
1-[(1S,2R)-2-hydroxycyclohexyl]-3-[(1S)-1-(2-pyrazol-1-ylphenyl)ethyl]urea
CID 124777004
N-[(1S)-1-(2-pyrazol-1-ylphenyl)ethyl]cyclopentanamine
CID 95132547
3-[(2R)-oxolan-2-yl]-N-[1-(2-pyrazol-1-ylphenyl)ethyl]propanamide
CID 166302824
1-[1-(2-pyrazol-1-ylphenyl)ethylcarbamoyl]cyclopropane-1-carboxylic acid
CID 120550077
N-[1-(2-pyrazol-1-ylphenyl)ethyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119781688
N-propan-2-yl-2-[[(1S)-1-(2-pyrazol-1-ylphenyl)ethyl]amino]acetamide
CID 97085171
2-methyl-3-oxo-3-[1-(2-pyrazol-1-ylphenyl)ethylamino]propanoic acid
CID 122065751
1-amino-N-[1-(2-pyrazol-1-ylphenyl)ethyl]cyclopentane-1-carboxamide;hydrochloride
CID 119322482
3-amino-N-[1-(2-pyrazol-1-ylphenyl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119781657
1-[(3S,4S)-4-methyl-2-oxopiperidin-3-yl]-3-[(1S)-1-(2-pyrazol-1-ylphenyl)ethyl]urea
CID 129402976

Frequently Asked Questions

What is the IUPAC name of 4-(2-oxopyrrolidin-1-yl)-N-[(1R)-1-(2-pyrazol-1-ylphenyl)ethyl]piperidine-1-carboxamide?
The IUPAC name of 4-(2-oxopyrrolidin-1-yl)-N-[(1R)-1-(2-pyrazol-1-ylphenyl)ethyl]piperidine-1-carboxamide (CID 124590755) is 4-(2-oxopyrrolidin-1-yl)-N-[(1R)-1-(2-pyrazol-1-ylphenyl)ethyl]piperidine-1-carboxamide.
What is the SMILES notation for 4-(2-oxopyrrolidin-1-yl)-N-[(1R)-1-(2-pyrazol-1-ylphenyl)ethyl]piperidine-1-carboxamide?
The canonical SMILES for 4-(2-oxopyrrolidin-1-yl)-N-[(1R)-1-(2-pyrazol-1-ylphenyl)ethyl]piperidine-1-carboxamide is C[C@@H](NC(=O)N1CCC(N2CCCC2=O)CC1)c1ccccc1-n1cccn1.
What is the InChIKey of 4-(2-oxopyrrolidin-1-yl)-N-[(1R)-1-(2-pyrazol-1-ylphenyl)ethyl]piperidine-1-carboxamide?
The InChIKey is NJPGHKGADZAGRC-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H27N5O2/c1-16(18-6-2-3-7-19(18)26-13-5-11-22-26)23-21(28)24-14-9-17(10-15-24)25-12-4-8-20(25)27/h2-3,5-7,11,13,16-17H,4,8-10,12,14-15H2,1H3,(H,23,28)/t16-/m1/s1.
What are the key properties of 4-(2-oxopyrrolidin-1-yl)-N-[(1R)-1-(2-pyrazol-1-ylphenyl)ethyl]piperidine-1-carboxamide?
4-(2-oxopyrrolidin-1-yl)-N-[(1R)-1-(2-pyrazol-1-ylphenyl)ethyl]piperidine-1-carboxamide has a molecular weight of 381.48 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-oxopyrrolidin-1-yl)-N-[(1R)-1-(2-pyrazol-1-ylphenyl)ethyl]piperidine-1-carboxamide is sourced from PubChem (CID 124590755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).