N-[3-[benzyl(methyl)amino]propyl]-1-(4-chlorobenzoyl)piperidine-3-carboxamide

C24H30ClN3O2 — CID 42922904

IUPACN-[3-[benzyl(methyl)amino]propyl]-1-(4-chlorobenzoyl)piperidine-3-carboxamide
SMILESCN(CCCNC(=O)C1CCCN(C(=O)c2ccc(Cl)cc2)C1)Cc1ccccc1
InChIInChI=1S/C24H30ClN3O2/c1-27(17-19-7-3-2-4-8-19)15-6-14-26-23(29)21-9-5-16-28(18-21)24(30)20-10-12-22(25)13-11-20/h2-4,7-8,10-13,21H,5-6,9,14-18H2,1H3,(H,26,29)
InChIKeyFPMQFQGYHQHFAV-UHFFFAOYSA-N
MW427.98 g/mol
LogP3.83
Rot. Bonds8

About N-[3-[benzyl(methyl)amino]propyl]-1-(4-chlorobenzoyl)piperidine-3-carboxamide

N-[3-[benzyl(methyl)amino]propyl]-1-(4-chlorobenzoyl)piperidine-3-carboxamide (PubChem CID 42922904) has the molecular formula C24H30ClN3O2 and a molecular weight of 427.98 g/mol. Its IUPAC name is N-[3-[benzyl(methyl)amino]propyl]-1-(4-chlorobenzoyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[3-[benzyl(methyl)amino]propyl]-1-(4-chlorobenzoyl)piperidine-3-carboxamide
PubChem CID42922904
Molecular FormulaC24H30ClN3O2
Molecular Weight427.98 g/mol
Exact Mass427.20
IUPAC NameN-[3-[benzyl(methyl)amino]propyl]-1-(4-chlorobenzoyl)piperidine-3-carboxamide
SMILESCN(CCCNC(=O)C1CCCN(C(=O)c2ccc(Cl)cc2)C1)Cc1ccccc1
InChIInChI=1S/C24H30ClN3O2/c1-27(17-19-7-3-2-4-8-19)15-6-14-26-23(29)21-9-5-16-28(18-21)24(30)20-10-12-22(25)13-11-20/h2-4,7-8,10-13,21H,5-6,9,14-18H2,1H3,(H,26,29)
InChIKeyFPMQFQGYHQHFAV-UHFFFAOYSA-N
XLogP3.83
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.98
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[benzyl(methyl)amino]propyl]cyclopentanecarboxamide
CID 110461342
(3R)-1-(4-chlorobenzoyl)-N-(3-methylbutyl)piperidine-3-carboxamide
CID 26253365
1-(4-chlorobenzoyl)-N-ethylpiperidine-3-carboxamide
CID 47100006
(3R)-1-(4-chlorobenzoyl)-N-[(4-chlorophenyl)methyl]piperidine-3-carboxamide
CID 8713114
1-benzoyl-N-octylpiperidine-3-carboxamide
CID 70028584
1-(4-fluorobenzoyl)-N-(3-hydroxypropyl)piperidine-3-carboxamide
CID 78854856
N-[2-(4-aminophenyl)ethyl]-1-(4-chlorobenzoyl)piperidine-3-carboxamide
CID 119548062
(3S)-N-[2-[benzyl(methyl)amino]ethyl]-1-(3,5-dimethyl-1H-pyrrole-2-carbonyl)piperidine-3-carboxamide
CID 97043409
1-(4-chlorobenzoyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-3-carboxamide
CID 42906722
(3S)-1-(2-chlorobenzoyl)-N-(3-phenylpropyl)piperidine-3-carboxamide
CID 94082332
ethyl 1-[N-[3-[benzyl(methyl)amino]propyl]-N'-methylcarbamimidoyl]piperidine-3-carboxylate
CID 110994785
N-(2-aminoethyl)-1-[4-[[methyl(2-methylpropanoyl)amino]methyl]benzoyl]piperidine-3-carboxamide;hydrochloride
CID 119480778

Frequently Asked Questions

What is the IUPAC name of N-[3-[benzyl(methyl)amino]propyl]-1-(4-chlorobenzoyl)piperidine-3-carboxamide?
The IUPAC name of N-[3-[benzyl(methyl)amino]propyl]-1-(4-chlorobenzoyl)piperidine-3-carboxamide (CID 42922904) is N-[3-[benzyl(methyl)amino]propyl]-1-(4-chlorobenzoyl)piperidine-3-carboxamide.
What is the SMILES notation for N-[3-[benzyl(methyl)amino]propyl]-1-(4-chlorobenzoyl)piperidine-3-carboxamide?
The canonical SMILES for N-[3-[benzyl(methyl)amino]propyl]-1-(4-chlorobenzoyl)piperidine-3-carboxamide is CN(CCCNC(=O)C1CCCN(C(=O)c2ccc(Cl)cc2)C1)Cc1ccccc1.
What is the InChIKey of N-[3-[benzyl(methyl)amino]propyl]-1-(4-chlorobenzoyl)piperidine-3-carboxamide?
The InChIKey is FPMQFQGYHQHFAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30ClN3O2/c1-27(17-19-7-3-2-4-8-19)15-6-14-26-23(29)21-9-5-16-28(18-21)24(30)20-10-12-22(25)13-11-20/h2-4,7-8,10-13,21H,5-6,9,14-18H2,1H3,(H,26,29).
What are the key properties of N-[3-[benzyl(methyl)amino]propyl]-1-(4-chlorobenzoyl)piperidine-3-carboxamide?
N-[3-[benzyl(methyl)amino]propyl]-1-(4-chlorobenzoyl)piperidine-3-carboxamide has a molecular weight of 427.98 g/mol, XLogP of 3.83, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[benzyl(methyl)amino]propyl]-1-(4-chlorobenzoyl)piperidine-3-carboxamide is sourced from PubChem (CID 42922904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).