[4-(4-aminophenyl)piperazin-1-yl]-(2-methylcyclopentyl)methanone

C17H25N3O — CID 107174788

IUPAC[4-(4-aminophenyl)piperazin-1-yl]-(2-methylcyclopentyl)methanone
SMILESCC1CCCC1C(=O)N1CCN(c2ccc(N)cc2)CC1
InChIInChI=1S/C17H25N3O/c1-13-3-2-4-16(13)17(21)20-11-9-19(10-12-20)15-7-5-14(18)6-8-15/h5-8,13,16H,2-4,9-12,18H2,1H3
InChIKeyXCHXMMAZYUWLOK-UHFFFAOYSA-N
MW287.41 g/mol
LogP2.35
Rot. Bonds2

About [4-(4-aminophenyl)piperazin-1-yl]-(2-methylcyclopentyl)methanone

[4-(4-aminophenyl)piperazin-1-yl]-(2-methylcyclopentyl)methanone (PubChem CID 107174788) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is [4-(4-aminophenyl)piperazin-1-yl]-(2-methylcyclopentyl)methanone.

Molecular Properties

Compound Name[4-(4-aminophenyl)piperazin-1-yl]-(2-methylcyclopentyl)methanone
PubChem CID107174788
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name[4-(4-aminophenyl)piperazin-1-yl]-(2-methylcyclopentyl)methanone
SMILESCC1CCCC1C(=O)N1CCN(c2ccc(N)cc2)CC1
InChIInChI=1S/C17H25N3O/c1-13-3-2-4-16(13)17(21)20-11-9-19(10-12-20)15-7-5-14(18)6-8-15/h5-8,13,16H,2-4,9-12,18H2,1H3
InChIKeyXCHXMMAZYUWLOK-UHFFFAOYSA-N
XLogP2.35
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(2-hydroxycyclopentyl)-(4-phenylpiperazin-1-yl)methanone
CID 110013572
[4-(4-aminophenyl)piperazin-1-yl]-(oxan-4-yl)methanone
CID 62905278
2-(4-phenylpiperazine-1-carbonyl)cyclohexane-1-carboxylic acid
CID 2933500
trans-(1S,2S)-2-[4-(4-fluorophenyl)piperazine-1-carbonyl]cyclohexane-1-carboxylic acid
CID 873868
(2-hydroxycyclopentyl)-(4-pyridin-4-ylpiperazin-1-yl)methanone
CID 110013765
4-(4-aminophenyl)-N-cyclobutylpiperazine-1-carboxamide
CID 116653618
cis-(1R,2S)-2-[4-(4-fluorophenyl)piperazine-1-carbonyl]cyclohexane-1-carboxylic acid
CID 873866
cis-(1R,2S)-2-[4-(4-chlorophenyl)piperazine-1-carbonyl]cyclohexane-1-carboxylic acid
CID 7308003
2-[4-(4-fluorophenyl)piperazine-1-carbonyl]cyclohexane-1-carboxylic acid
CID 2886463
[4-(4-aminophenyl)piperazin-1-yl]-piperidin-4-ylmethanone
CID 70311502
cyclobutyl-[4-[4-(4-methylpiperidin-1-yl)phenyl]piperazin-1-yl]methanone
CID 113079073
cyclobutyl-[4-(4-piperidin-1-ylphenyl)piperazin-1-yl]methanone
CID 113079016

Frequently Asked Questions

What is the IUPAC name of [4-(4-aminophenyl)piperazin-1-yl]-(2-methylcyclopentyl)methanone?
The IUPAC name of [4-(4-aminophenyl)piperazin-1-yl]-(2-methylcyclopentyl)methanone (CID 107174788) is [4-(4-aminophenyl)piperazin-1-yl]-(2-methylcyclopentyl)methanone.
What is the SMILES notation for [4-(4-aminophenyl)piperazin-1-yl]-(2-methylcyclopentyl)methanone?
The canonical SMILES for [4-(4-aminophenyl)piperazin-1-yl]-(2-methylcyclopentyl)methanone is CC1CCCC1C(=O)N1CCN(c2ccc(N)cc2)CC1.
What is the InChIKey of [4-(4-aminophenyl)piperazin-1-yl]-(2-methylcyclopentyl)methanone?
The InChIKey is XCHXMMAZYUWLOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-13-3-2-4-16(13)17(21)20-11-9-19(10-12-20)15-7-5-14(18)6-8-15/h5-8,13,16H,2-4,9-12,18H2,1H3.
What are the key properties of [4-(4-aminophenyl)piperazin-1-yl]-(2-methylcyclopentyl)methanone?
[4-(4-aminophenyl)piperazin-1-yl]-(2-methylcyclopentyl)methanone has a molecular weight of 287.41 g/mol, XLogP of 2.35, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-aminophenyl)piperazin-1-yl]-(2-methylcyclopentyl)methanone is sourced from PubChem (CID 107174788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).