(1-aminocyclopentyl)-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]methanone

C17H24ClN3O — CID 119832653

IUPAC(1-aminocyclopentyl)-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]methanone
SMILESNC1(C(=O)N2CCN(Cc3cccc(Cl)c3)CC2)CCCC1
InChIInChI=1S/C17H24ClN3O/c18-15-5-3-4-14(12-15)13-20-8-10-21(11-9-20)16(22)17(19)6-1-2-7-17/h3-5,12H,1-2,6-11,13,19H2
InChIKeyLWSKKJZUDBKXDA-UHFFFAOYSA-N
MW321.85 g/mol
LogP2.26
Rot. Bonds3

About (1-aminocyclopentyl)-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]methanone

(1-aminocyclopentyl)-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]methanone (PubChem CID 119832653) has the molecular formula C17H24ClN3O and a molecular weight of 321.85 g/mol. Its IUPAC name is (1-aminocyclopentyl)-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(1-aminocyclopentyl)-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]methanone
PubChem CID119832653
Molecular FormulaC17H24ClN3O
Molecular Weight321.85 g/mol
Exact Mass321.16
IUPAC Name(1-aminocyclopentyl)-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]methanone
SMILESNC1(C(=O)N2CCN(Cc3cccc(Cl)c3)CC2)CCCC1
InChIInChI=1S/C17H24ClN3O/c18-15-5-3-4-14(12-15)13-20-8-10-21(11-9-20)16(22)17(19)6-1-2-7-17/h3-5,12H,1-2,6-11,13,19H2
InChIKeyLWSKKJZUDBKXDA-UHFFFAOYSA-N
XLogP2.26
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.85
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1-aminocyclohexyl)-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methanone
CID 119831345
(1-aminocyclopropyl)-(4-benzyl-1,4-diazepan-1-yl)methanone
CID 119399365
(1-aminocyclopropyl)-(4-benzyl-1,4-diazepan-1-yl)methanone;dihydrochloride
CID 119399364
4-amino-1-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]butan-1-one;dihydrochloride
CID 119832689
1-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-2,2,2-trifluoroethanone
CID 19323616
methyl 4-[(3-chlorophenyl)methyl]piperazine-1-carboxylate
CID 110399100
2-amino-1-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-2-methylpropan-1-one;dihydrochloride
CID 119832630
1-[(3-chlorophenyl)methyl]pyrrolidine
CID 12738005
1-[(3-chlorophenyl)methyl]-4-[(4-chlorophenyl)methyl]piperazine;oxalic acid
CID 2874542
(1-aminocyclopentyl)-[4-[(3,5-dimethoxyphenyl)methyl]piperazin-1-yl]methanone;dihydrochloride
CID 119898528
[4-(1-aminocyclopropanecarbonyl)piperazin-1-yl]-(3-chlorophenyl)methanone
CID 119703799
3-amino-1-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-2-methylbutan-1-one;dihydrochloride
CID 120502539

Frequently Asked Questions

What is the IUPAC name of (1-aminocyclopentyl)-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]methanone?
The IUPAC name of (1-aminocyclopentyl)-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]methanone (CID 119832653) is (1-aminocyclopentyl)-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]methanone.
What is the SMILES notation for (1-aminocyclopentyl)-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]methanone?
The canonical SMILES for (1-aminocyclopentyl)-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]methanone is NC1(C(=O)N2CCN(Cc3cccc(Cl)c3)CC2)CCCC1.
What is the InChIKey of (1-aminocyclopentyl)-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]methanone?
The InChIKey is LWSKKJZUDBKXDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClN3O/c18-15-5-3-4-14(12-15)13-20-8-10-21(11-9-20)16(22)17(19)6-1-2-7-17/h3-5,12H,1-2,6-11,13,19H2.
What are the key properties of (1-aminocyclopentyl)-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]methanone?
(1-aminocyclopentyl)-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]methanone has a molecular weight of 321.85 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-aminocyclopentyl)-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]methanone is sourced from PubChem (CID 119832653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).