N-[3-(azepan-1-yl)propyl]-1-[(2-chlorophenyl)methyl]piperidine-4-carboxamide

C22H34ClN3O — CID 45016925

IUPACN-[3-(azepan-1-yl)propyl]-1-[(2-chlorophenyl)methyl]piperidine-4-carboxamide
SMILESO=C(NCCCN1CCCCCC1)C1CCN(Cc2ccccc2Cl)CC1
InChIInChI=1S/C22H34ClN3O/c23-21-9-4-3-8-20(21)18-26-16-10-19(11-17-26)22(27)24-12-7-15-25-13-5-1-2-6-14-25/h3-4,8-9,19H,1-2,5-7,10-18H2,(H,24,27)
InChIKeyJNPILDHSLXTFLC-UHFFFAOYSA-N
MW391.99 g/mol
LogP3.93
Rot. Bonds7

About N-[3-(azepan-1-yl)propyl]-1-[(2-chlorophenyl)methyl]piperidine-4-carboxamide

N-[3-(azepan-1-yl)propyl]-1-[(2-chlorophenyl)methyl]piperidine-4-carboxamide (PubChem CID 45016925) has the molecular formula C22H34ClN3O and a molecular weight of 391.99 g/mol. Its IUPAC name is N-[3-(azepan-1-yl)propyl]-1-[(2-chlorophenyl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[3-(azepan-1-yl)propyl]-1-[(2-chlorophenyl)methyl]piperidine-4-carboxamide
PubChem CID45016925
Molecular FormulaC22H34ClN3O
Molecular Weight391.99 g/mol
Exact Mass391.24
IUPAC NameN-[3-(azepan-1-yl)propyl]-1-[(2-chlorophenyl)methyl]piperidine-4-carboxamide
SMILESO=C(NCCCN1CCCCCC1)C1CCN(Cc2ccccc2Cl)CC1
InChIInChI=1S/C22H34ClN3O/c23-21-9-4-3-8-20(21)18-26-16-10-19(11-17-26)22(27)24-12-7-15-25-13-5-1-2-6-14-25/h3-4,8-9,19H,1-2,5-7,10-18H2,(H,24,27)
InChIKeyJNPILDHSLXTFLC-UHFFFAOYSA-N
XLogP3.93
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.99
LogP ≤ 53.93
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

1-[(2-chlorophenyl)methyl]-N-[[3-(piperidin-1-ylmethyl)phenyl]methyl]piperidine-4-carboxamide
CID 43917643
1-[(2-chlorophenyl)methyl]-N-[(4-chlorophenyl)methyl]piperidine-4-carboxamide
CID 45007673
1-[(2-chlorophenyl)methylsulfonyl]-N-[3-(4-methylpiperazin-1-yl)propyl]piperidine-4-carboxamide
CID 28574520
N-[3-(azepan-1-yl)propyl]-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide
CID 38115484
N-[3-(2-chlorophenyl)propyl]-1-[(3,4-dichlorophenyl)methyl]piperidine-4-carboxamide
CID 46773335
[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-piperidin-1-ylmethanone
CID 25250006
[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-cyclopropylmethanone
CID 155674268
(3S)-1-[(2-chlorophenyl)methyl]-N-[3-(3,4-dihydro-2H-quinolin-1-yl)propyl]piperidine-3-carboxamide
CID 125042887
1-[(2-chlorophenyl)methyl]-N-cyclopentylpiperidine-4-carboxamide;oxalic acid
CID 2903315
1-[(2-chlorophenyl)methyl]azepane
CID 17017924
1-[(2-chlorophenyl)methyl]piperidine-4-carboxamide
CID 3889228
1-benzyl-N-(3-phenylpropyl)piperidine-4-carboxamide
CID 46773938

Frequently Asked Questions

What is the IUPAC name of N-[3-(azepan-1-yl)propyl]-1-[(2-chlorophenyl)methyl]piperidine-4-carboxamide?
The IUPAC name of N-[3-(azepan-1-yl)propyl]-1-[(2-chlorophenyl)methyl]piperidine-4-carboxamide (CID 45016925) is N-[3-(azepan-1-yl)propyl]-1-[(2-chlorophenyl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for N-[3-(azepan-1-yl)propyl]-1-[(2-chlorophenyl)methyl]piperidine-4-carboxamide?
The canonical SMILES for N-[3-(azepan-1-yl)propyl]-1-[(2-chlorophenyl)methyl]piperidine-4-carboxamide is O=C(NCCCN1CCCCCC1)C1CCN(Cc2ccccc2Cl)CC1.
What is the InChIKey of N-[3-(azepan-1-yl)propyl]-1-[(2-chlorophenyl)methyl]piperidine-4-carboxamide?
The InChIKey is JNPILDHSLXTFLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34ClN3O/c23-21-9-4-3-8-20(21)18-26-16-10-19(11-17-26)22(27)24-12-7-15-25-13-5-1-2-6-14-25/h3-4,8-9,19H,1-2,5-7,10-18H2,(H,24,27).
What are the key properties of N-[3-(azepan-1-yl)propyl]-1-[(2-chlorophenyl)methyl]piperidine-4-carboxamide?
N-[3-(azepan-1-yl)propyl]-1-[(2-chlorophenyl)methyl]piperidine-4-carboxamide has a molecular weight of 391.99 g/mol, XLogP of 3.93, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(azepan-1-yl)propyl]-1-[(2-chlorophenyl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 45016925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).