1-(4-aminophenyl)-N-(4-methylphenyl)piperidine-4-carboxamide

C19H23N3O — CID 39446044

IUPAC1-(4-aminophenyl)-N-(4-methylphenyl)piperidine-4-carboxamide
SMILESCc1ccc(NC(=O)C2CCN(c3ccc(N)cc3)CC2)cc1
InChIInChI=1S/C19H23N3O/c1-14-2-6-17(7-3-14)21-19(23)15-10-12-22(13-11-15)18-8-4-16(20)5-9-18/h2-9,15H,10-13,20H2,1H3,(H,21,23)
InChIKeyCPCQCBPMCNAHFP-UHFFFAOYSA-N
MW309.41 g/mol
LogP3.43
Rot. Bonds3

About 1-(4-aminophenyl)-N-(4-methylphenyl)piperidine-4-carboxamide

1-(4-aminophenyl)-N-(4-methylphenyl)piperidine-4-carboxamide (PubChem CID 39446044) has the molecular formula C19H23N3O and a molecular weight of 309.41 g/mol. Its IUPAC name is 1-(4-aminophenyl)-N-(4-methylphenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4-aminophenyl)-N-(4-methylphenyl)piperidine-4-carboxamide
PubChem CID39446044
Molecular FormulaC19H23N3O
Molecular Weight309.41 g/mol
Exact Mass309.18
IUPAC Name1-(4-aminophenyl)-N-(4-methylphenyl)piperidine-4-carboxamide
SMILESCc1ccc(NC(=O)C2CCN(c3ccc(N)cc3)CC2)cc1
InChIInChI=1S/C19H23N3O/c1-14-2-6-17(7-3-14)21-19(23)15-10-12-22(13-11-15)18-8-4-16(20)5-9-18/h2-9,15H,10-13,20H2,1H3,(H,21,23)
InChIKeyCPCQCBPMCNAHFP-UHFFFAOYSA-N
XLogP3.43
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 53.43
H-Bond Donors ≤ 52
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

1-[4-(cyclopropanecarbonylamino)phenyl]-N-ethylpiperidine-4-carboxamide
CID 110668128
N-(4-pyrrolidin-1-ylphenyl)cyclobutanecarboxamide
CID 41491961
ethyl 4-[(4-pyrrolidin-1-ylphenyl)carbamoyl]piperidine-1-carboxylate
CID 41491893
1-(4-methylphenyl)-N-[4-(4-methylpiperidin-1-yl)phenyl]-5-oxopyrrolidine-3-carboxamide;hydrochloride
CID 44828263
N-(4-methylphenyl)-N'-[4-(4-methylpiperidin-1-yl)phenyl]oxamide
CID 108986754
1-(4-aminophenyl)-N-(2-fluorophenyl)piperidine-4-carboxamide
CID 39453796
N-(4-pyrrolidin-1-ylphenyl)oxane-4-carboxamide
CID 30795120
1-(4-methylphenyl)-N-[4-(3-methylpyrrolidin-1-yl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 56559166
1-(4,6-dimethylpyrimidin-2-yl)-N-[4-(4-methylpiperazin-1-yl)phenyl]piperidine-4-carboxamide
CID 108805731
4-[4-[[1-(4-methylphenyl)piperidin-4-yl]methyl]piperidin-1-yl]aniline
CID 89182130
4-(methylamino)-N-(4-morpholin-4-ylphenyl)cyclohexane-1-carboxamide
CID 71040468
N-[4-[(3S)-3-methoxypyrrolidin-1-yl]phenyl]cyclopropanecarboxamide
CID 97427532

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminophenyl)-N-(4-methylphenyl)piperidine-4-carboxamide?
The IUPAC name of 1-(4-aminophenyl)-N-(4-methylphenyl)piperidine-4-carboxamide (CID 39446044) is 1-(4-aminophenyl)-N-(4-methylphenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(4-aminophenyl)-N-(4-methylphenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(4-aminophenyl)-N-(4-methylphenyl)piperidine-4-carboxamide is Cc1ccc(NC(=O)C2CCN(c3ccc(N)cc3)CC2)cc1.
What is the InChIKey of 1-(4-aminophenyl)-N-(4-methylphenyl)piperidine-4-carboxamide?
The InChIKey is CPCQCBPMCNAHFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O/c1-14-2-6-17(7-3-14)21-19(23)15-10-12-22(13-11-15)18-8-4-16(20)5-9-18/h2-9,15H,10-13,20H2,1H3,(H,21,23).
What are the key properties of 1-(4-aminophenyl)-N-(4-methylphenyl)piperidine-4-carboxamide?
1-(4-aminophenyl)-N-(4-methylphenyl)piperidine-4-carboxamide has a molecular weight of 309.41 g/mol, XLogP of 3.43, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminophenyl)-N-(4-methylphenyl)piperidine-4-carboxamide is sourced from PubChem (CID 39446044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).