[4-(4-aminophenyl)cyclohexyl]-pyrrolidin-1-ylmethanone

C17H24N2O — CID 68588763

IUPAC[4-(4-aminophenyl)cyclohexyl]-pyrrolidin-1-ylmethanone
SMILESNc1ccc(C2CCC(C(=O)N3CCCC3)CC2)cc1
InChIInChI=1S/C17H24N2O/c18-16-9-7-14(8-10-16)13-3-5-15(6-4-13)17(20)19-11-1-2-12-19/h7-10,13,15H,1-6,11-12,18H2
InChIKeyYCOQCGDHUBXGOL-UHFFFAOYSA-N
MW272.39 g/mol
LogP3.16
Rot. Bonds2

About [4-(4-aminophenyl)cyclohexyl]-pyrrolidin-1-ylmethanone

[4-(4-aminophenyl)cyclohexyl]-pyrrolidin-1-ylmethanone (PubChem CID 68588763) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is [4-(4-aminophenyl)cyclohexyl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[4-(4-aminophenyl)cyclohexyl]-pyrrolidin-1-ylmethanone
PubChem CID68588763
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name[4-(4-aminophenyl)cyclohexyl]-pyrrolidin-1-ylmethanone
SMILESNc1ccc(C2CCC(C(=O)N3CCCC3)CC2)cc1
InChIInChI=1S/C17H24N2O/c18-16-9-7-14(8-10-16)13-3-5-15(6-4-13)17(20)19-11-1-2-12-19/h7-10,13,15H,1-6,11-12,18H2
InChIKeyYCOQCGDHUBXGOL-UHFFFAOYSA-N
XLogP3.16
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(4-phenylcyclohexyl)-piperazin-1-ylmethanone
CID 119401928
cyclopropyl-[4-(4-ethenylphenyl)piperidin-1-yl]methanone
CID 176576901
but-2-yne;cyclopropyl(pyrrolidin-1-yl)methanone
CID 170583194
cyclopropyl-[3-(4-methoxyphenyl)azepan-1-yl]methanone
CID 73168589
[4-(5-amino-2-fluorobenzoyl)piperazin-1-yl]-cyclopropylmethanone
CID 61107768
cyclopropyl-[(3S)-3-(4-methoxyphenyl)azepan-1-yl]methanone
CID 99883367
2-[1-(4-phenylcyclohexanecarbonyl)piperidin-4-yl]acetic acid
CID 119178888
[4-(4-aminophenyl)piperidin-1-yl]-(4-methylpiperazin-1-yl)methanone
CID 66712036
[4-[4-(4-amino-7,7-dimethylpyrimido[4,5-b][1,4]oxazin-6-yl)phenyl]cyclohexyl]-piperidin-1-ylmethanone
CID 58909498
[4-(4-aminophenyl)piperazin-1-yl]-(oxan-4-yl)methanone
CID 62905278
(3R)-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-phenylpyrrolidine-1-carboxamide
CID 95592066
[4-[(5-amino-2-pyridinyl)amino]piperidin-1-yl]-cyclopropylmethanone
CID 68722687

Frequently Asked Questions

What is the IUPAC name of [4-(4-aminophenyl)cyclohexyl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [4-(4-aminophenyl)cyclohexyl]-pyrrolidin-1-ylmethanone (CID 68588763) is [4-(4-aminophenyl)cyclohexyl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [4-(4-aminophenyl)cyclohexyl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [4-(4-aminophenyl)cyclohexyl]-pyrrolidin-1-ylmethanone is Nc1ccc(C2CCC(C(=O)N3CCCC3)CC2)cc1.
What is the InChIKey of [4-(4-aminophenyl)cyclohexyl]-pyrrolidin-1-ylmethanone?
The InChIKey is YCOQCGDHUBXGOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c18-16-9-7-14(8-10-16)13-3-5-15(6-4-13)17(20)19-11-1-2-12-19/h7-10,13,15H,1-6,11-12,18H2.
What are the key properties of [4-(4-aminophenyl)cyclohexyl]-pyrrolidin-1-ylmethanone?
[4-(4-aminophenyl)cyclohexyl]-pyrrolidin-1-ylmethanone has a molecular weight of 272.39 g/mol, XLogP of 3.16, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-aminophenyl)cyclohexyl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 68588763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).