4-(4-methyl-2-phenylpiperazine-1-carbonyl)-3-pyrrolidin-1-ylbenzonitrile

C23H26N4O — CID 167526111

IUPAC4-(4-methyl-2-phenylpiperazine-1-carbonyl)-3-pyrrolidin-1-ylbenzonitrile
SMILESCN1CCN(C(=O)c2ccc(C#N)cc2N2CCCC2)C(c2ccccc2)C1
InChIInChI=1S/C23H26N4O/c1-25-13-14-27(22(17-25)19-7-3-2-4-8-19)23(28)20-10-9-18(16-24)15-21(20)26-11-5-6-12-26/h2-4,7-10,15,22H,5-6,11-14,17H2,1H3
InChIKeyQYCDQFWVPBPBKZ-UHFFFAOYSA-N
MW374.49 g/mol
LogP3.29
Rot. Bonds3

About 4-(4-methyl-2-phenylpiperazine-1-carbonyl)-3-pyrrolidin-1-ylbenzonitrile

4-(4-methyl-2-phenylpiperazine-1-carbonyl)-3-pyrrolidin-1-ylbenzonitrile (PubChem CID 167526111) has the molecular formula C23H26N4O and a molecular weight of 374.49 g/mol. Its IUPAC name is 4-(4-methyl-2-phenylpiperazine-1-carbonyl)-3-pyrrolidin-1-ylbenzonitrile.

Molecular Properties

Compound Name4-(4-methyl-2-phenylpiperazine-1-carbonyl)-3-pyrrolidin-1-ylbenzonitrile
PubChem CID167526111
Molecular FormulaC23H26N4O
Molecular Weight374.49 g/mol
Exact Mass374.21
IUPAC Name4-(4-methyl-2-phenylpiperazine-1-carbonyl)-3-pyrrolidin-1-ylbenzonitrile
SMILESCN1CCN(C(=O)c2ccc(C#N)cc2N2CCCC2)C(c2ccccc2)C1
InChIInChI=1S/C23H26N4O/c1-25-13-14-27(22(17-25)19-7-3-2-4-8-19)23(28)20-10-9-18(16-24)15-21(20)26-11-5-6-12-26/h2-4,7-10,15,22H,5-6,11-14,17H2,1H3
InChIKeyQYCDQFWVPBPBKZ-UHFFFAOYSA-N
XLogP3.29
TPSA50.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(azepan-1-yl)-4-(4-methyl-2-phenylpiperazine-1-carbonyl)phenyl]cyclopropanecarboxamide
CID 157036127
(2-hydroxyphenyl)-(4-methyl-2-phenylpiperazin-1-yl)methanone
CID 43824710
4-cyano-2-pyrrolidin-1-ylbenzoic acid
CID 68804373
N-[4-[(2S)-4-methyl-2-(3-methylphenyl)piperazine-1-carbonyl]-3-pyrrolidin-1-ylphenyl]cyclopropanecarboxamide
CID 170160110
(4-methyl-2-phenylpiperazin-1-yl)-phenylmethanone
CID 4069484
6-methyl-3-[(2S)-4-methyl-2-phenylpiperazine-1-carbonyl]-1H-pyridin-2-one
CID 95976202
(2,6-dichloro-3-pyridinyl)-(4-methyl-2-phenylpiperazin-1-yl)methanone
CID 167526074
(4-methyl-2-phenylpiperazin-1-yl)-pyrrolidin-1-ylmethanone
CID 115578734
tert-butyl (3S)-3-(3-cyanophenyl)-4-[4-(cyclopropanecarbonylamino)-2-pyrrolidin-1-ylbenzoyl]piperazine-1-carboxylate
CID 170160230
(5-bromo-2-hydroxyphenyl)-(4-methyl-2-phenylpiperazin-1-yl)methanone
CID 112802623
N-[3-(azepan-1-yl)-4-(4-methyl-2-pyridin-2-ylpiperazine-1-carbonyl)phenyl]cyclopropanecarboxamide
CID 157036238
[4-amino-2-(3-methylpyrazol-1-yl)phenyl]-(4-methyl-2-phenylpiperazin-1-yl)methanone
CID 157036251

Frequently Asked Questions

What is the IUPAC name of 4-(4-methyl-2-phenylpiperazine-1-carbonyl)-3-pyrrolidin-1-ylbenzonitrile?
The IUPAC name of 4-(4-methyl-2-phenylpiperazine-1-carbonyl)-3-pyrrolidin-1-ylbenzonitrile (CID 167526111) is 4-(4-methyl-2-phenylpiperazine-1-carbonyl)-3-pyrrolidin-1-ylbenzonitrile.
What is the SMILES notation for 4-(4-methyl-2-phenylpiperazine-1-carbonyl)-3-pyrrolidin-1-ylbenzonitrile?
The canonical SMILES for 4-(4-methyl-2-phenylpiperazine-1-carbonyl)-3-pyrrolidin-1-ylbenzonitrile is CN1CCN(C(=O)c2ccc(C#N)cc2N2CCCC2)C(c2ccccc2)C1.
What is the InChIKey of 4-(4-methyl-2-phenylpiperazine-1-carbonyl)-3-pyrrolidin-1-ylbenzonitrile?
The InChIKey is QYCDQFWVPBPBKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O/c1-25-13-14-27(22(17-25)19-7-3-2-4-8-19)23(28)20-10-9-18(16-24)15-21(20)26-11-5-6-12-26/h2-4,7-10,15,22H,5-6,11-14,17H2,1H3.
What are the key properties of 4-(4-methyl-2-phenylpiperazine-1-carbonyl)-3-pyrrolidin-1-ylbenzonitrile?
4-(4-methyl-2-phenylpiperazine-1-carbonyl)-3-pyrrolidin-1-ylbenzonitrile has a molecular weight of 374.49 g/mol, XLogP of 3.29, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methyl-2-phenylpiperazine-1-carbonyl)-3-pyrrolidin-1-ylbenzonitrile is sourced from PubChem (CID 167526111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).