(1-phenylcyclopentyl)-(4-propan-2-ylpiperazin-1-yl)methanone

C19H28N2O — CID 135165735

IUPAC(1-phenylcyclopentyl)-(4-propan-2-ylpiperazin-1-yl)methanone
SMILESCC(C)N1CCN(C(=O)C2(c3ccccc3)CCCC2)CC1
InChIInChI=1S/C19H28N2O/c1-16(2)20-12-14-21(15-13-20)18(22)19(10-6-7-11-19)17-8-4-3-5-9-17/h3-5,8-9,16H,6-7,10-15H2,1-2H3
InChIKeyYYEKNZIJMFIWQE-UHFFFAOYSA-N
MW300.45 g/mol
LogP3.05
Rot. Bonds3

About (1-phenylcyclopentyl)-(4-propan-2-ylpiperazin-1-yl)methanone

(1-phenylcyclopentyl)-(4-propan-2-ylpiperazin-1-yl)methanone (PubChem CID 135165735) has the molecular formula C19H28N2O and a molecular weight of 300.45 g/mol. Its IUPAC name is (1-phenylcyclopentyl)-(4-propan-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(1-phenylcyclopentyl)-(4-propan-2-ylpiperazin-1-yl)methanone
PubChem CID135165735
Molecular FormulaC19H28N2O
Molecular Weight300.45 g/mol
Exact Mass300.22
IUPAC Name(1-phenylcyclopentyl)-(4-propan-2-ylpiperazin-1-yl)methanone
SMILESCC(C)N1CCN(C(=O)C2(c3ccccc3)CCCC2)CC1
InChIInChI=1S/C19H28N2O/c1-16(2)20-12-14-21(15-13-20)18(22)19(10-6-7-11-19)17-8-4-3-5-9-17/h3-5,8-9,16H,6-7,10-15H2,1-2H3
InChIKeyYYEKNZIJMFIWQE-UHFFFAOYSA-N
XLogP3.05
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.45
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(4-chlorophenyl)cyclopentyl]-(4-propan-2-ylpiperazin-1-yl)methanone
CID 55642127
[1-(3-chlorophenyl)cyclopentyl]-(4-propan-2-ylpiperazin-1-yl)methanone
CID 55687550
(1-phenylcyclopentyl)-(4-phenylpiperazin-1-yl)methanone
CID 4048114
N-cyclopropyl-2-[4-(1-phenylcyclopropanecarbonyl)piperazin-1-yl]propanamide
CID 51329077
(1-phenylcyclobutyl)-piperazin-1-ylmethanone
CID 110463899
[4-(1-hydroxyethyl)piperidin-1-yl]-(1-phenylcyclopropyl)methanone
CID 103677890
2-methyl-N-[4-[1-(4-phenylpiperazine-1-carbonyl)cyclohexyl]phenyl]propanamide
CID 53110438
cyclopentyl-(4-propan-2-ylpiperazin-1-yl)methanone;cyclopropyl-(4-propan-2-ylpiperazin-1-yl)methanone;(3,3-difluorocyclopentyl)-(4-propan-2-ylpiperazin-1-yl)methanone;(4-hydroxycyclohexyl)-(4-propan-2-ylpiperazin-1-yl)methanone;(3-hydroxycyclopentyl)-(4-propan-2-ylpiperazin-1-yl)methanone;(1-hydroxycyclopropyl)-(4-propan-2-ylpiperazin-1-yl)methanone;(1-phenylcyclobutyl)-(4-propan-2-ylpiperazin-1-yl)methanone;(1-phenylcyclohexyl)-(4-propan-2-ylpiperazin-1-yl)methanone;(1-phenylcyclopentyl)-(4-propan-2-ylpiperazin-1-yl)methanone;(1-phenylcyclopropyl)-(4-propan-2-ylpiperazin-1-yl)methanone
CID 161462168
(4-aminopiperidin-1-yl)-(1-phenylcyclobutyl)methanone;hydrochloride
CID 119374083
cyclobutyl-[4-(1-phenylcyclopropanecarbonyl)piperazin-1-yl]methanone
CID 75369417
(4-fluorophenyl)-[4-(1-phenylcyclobutanecarbonyl)piperazin-1-yl]methanone
CID 36509634
[4-(2,3-dimethylphenyl)piperazin-1-yl]-(1-phenylcyclobutyl)methanone
CID 110436569

Frequently Asked Questions

What is the IUPAC name of (1-phenylcyclopentyl)-(4-propan-2-ylpiperazin-1-yl)methanone?
The IUPAC name of (1-phenylcyclopentyl)-(4-propan-2-ylpiperazin-1-yl)methanone (CID 135165735) is (1-phenylcyclopentyl)-(4-propan-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for (1-phenylcyclopentyl)-(4-propan-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for (1-phenylcyclopentyl)-(4-propan-2-ylpiperazin-1-yl)methanone is CC(C)N1CCN(C(=O)C2(c3ccccc3)CCCC2)CC1.
What is the InChIKey of (1-phenylcyclopentyl)-(4-propan-2-ylpiperazin-1-yl)methanone?
The InChIKey is YYEKNZIJMFIWQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O/c1-16(2)20-12-14-21(15-13-20)18(22)19(10-6-7-11-19)17-8-4-3-5-9-17/h3-5,8-9,16H,6-7,10-15H2,1-2H3.
What are the key properties of (1-phenylcyclopentyl)-(4-propan-2-ylpiperazin-1-yl)methanone?
(1-phenylcyclopentyl)-(4-propan-2-ylpiperazin-1-yl)methanone has a molecular weight of 300.45 g/mol, XLogP of 3.05, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-phenylcyclopentyl)-(4-propan-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 135165735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).