6-[4-[2-(4-cyclopropylphenyl)acetyl]piperazin-1-yl]pyridine-3-carbonitrile

C21H22N4O — CID 139531994

IUPAC6-[4-[2-(4-cyclopropylphenyl)acetyl]piperazin-1-yl]pyridine-3-carbonitrile
SMILESN#Cc1ccc(N2CCN(C(=O)Cc3ccc(C4CC4)cc3)CC2)nc1
InChIInChI=1S/C21H22N4O/c22-14-17-3-8-20(23-15-17)24-9-11-25(12-10-24)21(26)13-16-1-4-18(5-2-16)19-6-7-19/h1-5,8,15,19H,6-7,9-13H2
InChIKeyKYOYNHNUMNLTJK-UHFFFAOYSA-N
MW346.43 g/mol
LogP2.72
Rot. Bonds4

About 6-[4-[2-(4-cyclopropylphenyl)acetyl]piperazin-1-yl]pyridine-3-carbonitrile

6-[4-[2-(4-cyclopropylphenyl)acetyl]piperazin-1-yl]pyridine-3-carbonitrile (PubChem CID 139531994) has the molecular formula C21H22N4O and a molecular weight of 346.43 g/mol. Its IUPAC name is 6-[4-[2-(4-cyclopropylphenyl)acetyl]piperazin-1-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[4-[2-(4-cyclopropylphenyl)acetyl]piperazin-1-yl]pyridine-3-carbonitrile
PubChem CID139531994
Molecular FormulaC21H22N4O
Molecular Weight346.43 g/mol
Exact Mass346.18
IUPAC Name6-[4-[2-(4-cyclopropylphenyl)acetyl]piperazin-1-yl]pyridine-3-carbonitrile
SMILESN#Cc1ccc(N2CCN(C(=O)Cc3ccc(C4CC4)cc3)CC2)nc1
InChIInChI=1S/C21H22N4O/c22-14-17-3-8-20(23-15-17)24-9-11-25(12-10-24)21(26)13-16-1-4-18(5-2-16)19-6-7-19/h1-5,8,15,19H,6-7,9-13H2
InChIKeyKYOYNHNUMNLTJK-UHFFFAOYSA-N
XLogP2.72
TPSA60.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Difenpiramide
CID 100472
N-[2-[4-(3-cyanopyridin-2-yl)piperazin-1-yl]ethyl]-4-fluorobenzamide
CID 49788941
N-(5-methylpyridin-2-yl)-2,2-diphenylacetamide
CID 939927
2-(4-isobutylphenyl)-N-(3-methylpyridin-2-yl)propanamide
CID 6612586
6-(4-{[4-(Propan-2-yl)phenyl]acetyl}piperazin-1-yl)pyridine-3-carbonitrile
CID 139532134
1-(4-Methylbenzoyl)-4-(2-pyridinyl)piperazine
CID 706998
N-(3-methyl-2-pyridinyl)-2,2-diphenylacetamide
CID 4450213
Phenylcarbonyl piperazine, 3
CID 2741589
N-[2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]-N-pyridin-2-ylcyclohexanecarboxamide
CID 71455083
(3,4-Dimethylphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 888130
(3,5-Dimethylphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 912542
Naphthalen-2-yl-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 1280312

Frequently Asked Questions

What is the IUPAC name of 6-[4-[2-(4-cyclopropylphenyl)acetyl]piperazin-1-yl]pyridine-3-carbonitrile?
The IUPAC name of 6-[4-[2-(4-cyclopropylphenyl)acetyl]piperazin-1-yl]pyridine-3-carbonitrile (CID 139531994) is 6-[4-[2-(4-cyclopropylphenyl)acetyl]piperazin-1-yl]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[4-[2-(4-cyclopropylphenyl)acetyl]piperazin-1-yl]pyridine-3-carbonitrile?
The canonical SMILES for 6-[4-[2-(4-cyclopropylphenyl)acetyl]piperazin-1-yl]pyridine-3-carbonitrile is N#Cc1ccc(N2CCN(C(=O)Cc3ccc(C4CC4)cc3)CC2)nc1.
What is the InChIKey of 6-[4-[2-(4-cyclopropylphenyl)acetyl]piperazin-1-yl]pyridine-3-carbonitrile?
The InChIKey is KYOYNHNUMNLTJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O/c22-14-17-3-8-20(23-15-17)24-9-11-25(12-10-24)21(26)13-16-1-4-18(5-2-16)19-6-7-19/h1-5,8,15,19H,6-7,9-13H2.
What are the key properties of 6-[4-[2-(4-cyclopropylphenyl)acetyl]piperazin-1-yl]pyridine-3-carbonitrile?
6-[4-[2-(4-cyclopropylphenyl)acetyl]piperazin-1-yl]pyridine-3-carbonitrile has a molecular weight of 346.43 g/mol, XLogP of 2.72, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[2-(4-cyclopropylphenyl)acetyl]piperazin-1-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 139531994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).