1-benzyl-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]pyrrolidine-2-carboxamide

C21H25N5O2 — CID 60579425

IUPAC1-benzyl-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]pyrrolidine-2-carboxamide
SMILESO=C1CN(c2ccc(NC(=O)C3CCCN3Cc3ccccc3)cn2)CCN1
InChIInChI=1S/C21H25N5O2/c27-20-15-26(12-10-22-20)19-9-8-17(13-23-19)24-21(28)18-7-4-11-25(18)14-16-5-2-1-3-6-16/h1-3,5-6,8-9,13,18H,4,7,10-12,14-15H2,(H,22,27)(H,24,28)
InChIKeyJOXYXVUXKSQRNN-UHFFFAOYSA-N
MW379.46 g/mol
LogP1.62
Rot. Bonds5

About 1-benzyl-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]pyrrolidine-2-carboxamide

1-benzyl-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]pyrrolidine-2-carboxamide (PubChem CID 60579425) has the molecular formula C21H25N5O2 and a molecular weight of 379.46 g/mol. Its IUPAC name is 1-benzyl-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]pyrrolidine-2-carboxamide
PubChem CID60579425
Molecular FormulaC21H25N5O2
Molecular Weight379.46 g/mol
Exact Mass379.20
IUPAC Name1-benzyl-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]pyrrolidine-2-carboxamide
SMILESO=C1CN(c2ccc(NC(=O)C3CCCN3Cc3ccccc3)cn2)CCN1
InChIInChI=1S/C21H25N5O2/c27-20-15-26(12-10-22-20)19-9-8-17(13-23-19)24-21(28)18-7-4-11-25(18)14-16-5-2-1-3-6-16/h1-3,5-6,8-9,13,18H,4,7,10-12,14-15H2,(H,22,27)(H,24,28)
InChIKeyJOXYXVUXKSQRNN-UHFFFAOYSA-N
XLogP1.62
TPSA77.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]pyridine-2-carboxamide
CID 38941036
N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]-2-pyrrolidin-2-ylacetamide
CID 119846046
1-[(4-fluorophenyl)methyl]-N-pyridin-3-ylpyrrolidine-2-carboxamide
CID 136512014
(3R)-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 34597005
(3R)-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]-3-(trifluoromethyl)piperidine-1-carboxamide
CID 51953423
3-cyclopentylsulfonyl-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]propanamide
CID 56795798
2-[(1S)-cyclopent-2-en-1-yl]-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]acetamide
CID 38940674
2-(3-methoxyphenyl)-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]acetamide
CID 34599898
trans-(1R,2R)-2-(4-bromophenyl)-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]cyclopropane-1-carboxamide
CID 97011933
(2R,3S)-2-methyl-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]morpholine-3-carboxamide
CID 120938926
1-benzyl-N-(1H-1,2,4-triazol-5-yl)pyrrolidine-2-carboxamide
CID 47390330
1-benzyl-N-[4-(diethylamino)phenyl]pyrrolidine-2-carboxamide
CID 60563181

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]pyrrolidine-2-carboxamide?
The IUPAC name of 1-benzyl-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]pyrrolidine-2-carboxamide (CID 60579425) is 1-benzyl-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-benzyl-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 1-benzyl-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]pyrrolidine-2-carboxamide is O=C1CN(c2ccc(NC(=O)C3CCCN3Cc3ccccc3)cn2)CCN1.
What is the InChIKey of 1-benzyl-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]pyrrolidine-2-carboxamide?
The InChIKey is JOXYXVUXKSQRNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O2/c27-20-15-26(12-10-22-20)19-9-8-17(13-23-19)24-21(28)18-7-4-11-25(18)14-16-5-2-1-3-6-16/h1-3,5-6,8-9,13,18H,4,7,10-12,14-15H2,(H,22,27)(H,24,28).
What are the key properties of 1-benzyl-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]pyrrolidine-2-carboxamide?
1-benzyl-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]pyrrolidine-2-carboxamide has a molecular weight of 379.46 g/mol, XLogP of 1.62, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 60579425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).