1-benzyl-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]pyrrolidine-2-carboxamide

C24H33N5O — CID 86968889

IUPAC1-benzyl-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]pyrrolidine-2-carboxamide
SMILESCC(CN1CCN(c2ccccn2)CC1)NC(=O)C1CCCN1Cc1ccccc1
InChIInChI=1S/C24H33N5O/c1-20(18-27-14-16-28(17-15-27)23-11-5-6-12-25-23)26-24(30)22-10-7-13-29(22)19-21-8-3-2-4-9-21/h2-6,8-9,11-12,20,22H,7,10,13-19H2,1H3,(H,26,30)
InChIKeyYFYWECZBOABYFS-UHFFFAOYSA-N
MW407.56 g/mol
LogP2.37
Rot. Bonds7

About 1-benzyl-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]pyrrolidine-2-carboxamide

1-benzyl-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]pyrrolidine-2-carboxamide (PubChem CID 86968889) has the molecular formula C24H33N5O and a molecular weight of 407.56 g/mol. Its IUPAC name is 1-benzyl-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]pyrrolidine-2-carboxamide
PubChem CID86968889
Molecular FormulaC24H33N5O
Molecular Weight407.56 g/mol
Exact Mass407.27
IUPAC Name1-benzyl-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]pyrrolidine-2-carboxamide
SMILESCC(CN1CCN(c2ccccn2)CC1)NC(=O)C1CCCN1Cc1ccccc1
InChIInChI=1S/C24H33N5O/c1-20(18-27-14-16-28(17-15-27)23-11-5-6-12-25-23)26-24(30)22-10-7-13-29(22)19-21-8-3-2-4-9-21/h2-6,8-9,11-12,20,22H,7,10,13-19H2,1H3,(H,26,30)
InChIKeyYFYWECZBOABYFS-UHFFFAOYSA-N
XLogP2.37
TPSA51.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.56
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-benzyl-N-(1-hydroxypropan-2-yl)pyrrolidine-2-carboxamide
CID 110904280
1-(2-methylbutanoyl)-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]piperidine-3-carboxamide
CID 86968814
2-(2,6-dichlorophenyl)-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]acetamide
CID 86968963
(2R,3S)-2-methyl-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]morpholine-3-carboxamide
CID 120941925
[(2S)-1-benzylpyrrolidin-2-yl]-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]methanone
CID 91771469
1-benzyl-N-[2-(methylamino)propyl]pyrrolidine-2-carboxamide;dihydrochloride
CID 120829939
(2S)-1-benzyl-N-[(1S)-1-cyanoethyl]piperidine-2-carboxamide
CID 124607982
3-(methylsulfonylmethyl)-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]benzamide
CID 86968837
2-methylsulfonyl-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]benzamide
CID 86968871
2-methyl-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-ol
CID 115872740
(2R)-1-benzyl-N-[(1R)-1-(4-methoxyphenyl)ethyl]pyrrolidine-2-carboxamide
CID 35528693
1-propyl-N-(1-pyridin-2-ylpiperidin-4-yl)pyrrolidine-2-carboxamide
CID 86844344

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]pyrrolidine-2-carboxamide?
The IUPAC name of 1-benzyl-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]pyrrolidine-2-carboxamide (CID 86968889) is 1-benzyl-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-benzyl-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]pyrrolidine-2-carboxamide?
The canonical SMILES for 1-benzyl-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]pyrrolidine-2-carboxamide is CC(CN1CCN(c2ccccn2)CC1)NC(=O)C1CCCN1Cc1ccccc1.
What is the InChIKey of 1-benzyl-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]pyrrolidine-2-carboxamide?
The InChIKey is YFYWECZBOABYFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N5O/c1-20(18-27-14-16-28(17-15-27)23-11-5-6-12-25-23)26-24(30)22-10-7-13-29(22)19-21-8-3-2-4-9-21/h2-6,8-9,11-12,20,22H,7,10,13-19H2,1H3,(H,26,30).
What are the key properties of 1-benzyl-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]pyrrolidine-2-carboxamide?
1-benzyl-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]pyrrolidine-2-carboxamide has a molecular weight of 407.56 g/mol, XLogP of 2.37, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 86968889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).