1-[1-(3-aminophenyl)ethyl]-N-cyclohexylpiperidine-4-carboxamide

C20H31N3O — CID 131736798

IUPAC1-[1-(3-aminophenyl)ethyl]-N-cyclohexylpiperidine-4-carboxamide
SMILESCC(c1cccc(N)c1)N1CCC(C(=O)NC2CCCCC2)CC1
InChIInChI=1S/C20H31N3O/c1-15(17-6-5-7-18(21)14-17)23-12-10-16(11-13-23)20(24)22-19-8-3-2-4-9-19/h5-7,14-16,19H,2-4,8-13,21H2,1H3,(H,22,24)
InChIKeyOOOCWFGJAHANIV-UHFFFAOYSA-N
MW329.49 g/mol
LogP3.49
Rot. Bonds4

About 1-[1-(3-aminophenyl)ethyl]-N-cyclohexylpiperidine-4-carboxamide

1-[1-(3-aminophenyl)ethyl]-N-cyclohexylpiperidine-4-carboxamide (PubChem CID 131736798) has the molecular formula C20H31N3O and a molecular weight of 329.49 g/mol. Its IUPAC name is 1-[1-(3-aminophenyl)ethyl]-N-cyclohexylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[1-(3-aminophenyl)ethyl]-N-cyclohexylpiperidine-4-carboxamide
PubChem CID131736798
Molecular FormulaC20H31N3O
Molecular Weight329.49 g/mol
Exact Mass329.25
IUPAC Name1-[1-(3-aminophenyl)ethyl]-N-cyclohexylpiperidine-4-carboxamide
SMILESCC(c1cccc(N)c1)N1CCC(C(=O)NC2CCCCC2)CC1
InChIInChI=1S/C20H31N3O/c1-15(17-6-5-7-18(21)14-17)23-12-10-16(11-13-23)20(24)22-19-8-3-2-4-9-19/h5-7,14-16,19H,2-4,8-13,21H2,1H3,(H,22,24)
InChIKeyOOOCWFGJAHANIV-UHFFFAOYSA-N
XLogP3.49
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.49
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[1-(azepan-1-yl)ethyl]aniline
CID 61262195
N-[1-[1-(3-aminophenyl)ethyl]pyrrolidin-3-yl]acetamide
CID 113402120
N-cyclopropyl-1-[(1R)-1-naphthalen-2-ylethyl]piperidine-4-carboxamide
CID 94651891
2-(3-aminophenyl)-N-cyclopropylpropanamide
CID 106590663
2-(3-aminophenyl)-N-(1-methylpiperidin-4-yl)propanamide
CID 106590880
2-hydroxy-N-[1-(1-phenylethyl)piperidin-4-yl]cyclopentane-1-carboxamide
CID 110014648
(2S,4S)-2-methyl-N-[1-(1-phenylethyl)piperidin-4-yl]piperidine-4-carboxamide;hydrochloride
CID 120636947
1-[1-(3-aminophenyl)ethyl]pyrrolidine-3,4-diol
CID 106667852
3-[1-(3-azaspiro[5.5]undecan-3-yl)ethyl]aniline
CID 62937705
3-[1-[4-(methoxymethyl)piperidin-1-yl]ethyl]aniline
CID 63973619
N-[1-(1-naphthalen-1-ylethyl)piperidin-4-yl]cyclobutanecarboxamide
CID 176652835
N-[1-(1-phenylethyl)piperidin-4-yl]-3-pyrrolidin-1-ylbenzamide
CID 138058182

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-aminophenyl)ethyl]-N-cyclohexylpiperidine-4-carboxamide?
The IUPAC name of 1-[1-(3-aminophenyl)ethyl]-N-cyclohexylpiperidine-4-carboxamide (CID 131736798) is 1-[1-(3-aminophenyl)ethyl]-N-cyclohexylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[1-(3-aminophenyl)ethyl]-N-cyclohexylpiperidine-4-carboxamide?
The canonical SMILES for 1-[1-(3-aminophenyl)ethyl]-N-cyclohexylpiperidine-4-carboxamide is CC(c1cccc(N)c1)N1CCC(C(=O)NC2CCCCC2)CC1.
What is the InChIKey of 1-[1-(3-aminophenyl)ethyl]-N-cyclohexylpiperidine-4-carboxamide?
The InChIKey is OOOCWFGJAHANIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O/c1-15(17-6-5-7-18(21)14-17)23-12-10-16(11-13-23)20(24)22-19-8-3-2-4-9-19/h5-7,14-16,19H,2-4,8-13,21H2,1H3,(H,22,24).
What are the key properties of 1-[1-(3-aminophenyl)ethyl]-N-cyclohexylpiperidine-4-carboxamide?
1-[1-(3-aminophenyl)ethyl]-N-cyclohexylpiperidine-4-carboxamide has a molecular weight of 329.49 g/mol, XLogP of 3.49, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-aminophenyl)ethyl]-N-cyclohexylpiperidine-4-carboxamide is sourced from PubChem (CID 131736798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).