1-[(3-chlorophenyl)methyl]-N,N-diethylpiperidine-3-carboxamide

C17H25ClN2O — CID 2838441

IUPAC1-[(3-chlorophenyl)methyl]-N,N-diethylpiperidine-3-carboxamide
SMILESCCN(CC)C(=O)C1CCCN(Cc2cccc(Cl)c2)C1
InChIInChI=1S/C17H25ClN2O/c1-3-20(4-2)17(21)15-8-6-10-19(13-15)12-14-7-5-9-16(18)11-14/h5,7,9,11,15H,3-4,6,8,10,12-13H2,1-2H3
InChIKeyUPMSIIUPFDIZBD-UHFFFAOYSA-N
MW308.85 g/mol
LogP3.42
Rot. Bonds5

About 1-[(3-chlorophenyl)methyl]-N,N-diethylpiperidine-3-carboxamide

1-[(3-chlorophenyl)methyl]-N,N-diethylpiperidine-3-carboxamide (PubChem CID 2838441) has the molecular formula C17H25ClN2O and a molecular weight of 308.85 g/mol. Its IUPAC name is 1-[(3-chlorophenyl)methyl]-N,N-diethylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-[(3-chlorophenyl)methyl]-N,N-diethylpiperidine-3-carboxamide
PubChem CID2838441
Molecular FormulaC17H25ClN2O
Molecular Weight308.85 g/mol
Exact Mass308.17
IUPAC Name1-[(3-chlorophenyl)methyl]-N,N-diethylpiperidine-3-carboxamide
SMILESCCN(CC)C(=O)C1CCCN(Cc2cccc(Cl)c2)C1
InChIInChI=1S/C17H25ClN2O/c1-3-20(4-2)17(21)15-8-6-10-19(13-15)12-14-7-5-9-16(18)11-14/h5,7,9,11,15H,3-4,6,8,10,12-13H2,1-2H3
InChIKeyUPMSIIUPFDIZBD-UHFFFAOYSA-N
XLogP3.42
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.85
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-Chlorobenzoyl)-4-methylpiperazine
CID 550876
1-[4-[(3-Chlorophenyl)methyl]piperazin-1-yl]-3-methylbutan-1-one
CID 742520
1-[4-(2-Chloro-benzyl)-piperazin-1-yl]-3-methyl-butan-1-one
CID 773315
1-benzyl-N,N-diethyl-3-piperidinecarboxamide
CID 2838082
N-[(3-chlorophenyl)methyl]-N,2,2-trimethylbutanamide
CID 121446658
N-[(4-chlorophenyl)methyl]-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide
CID 164851906
1-(3-chlorobenzyl)-3-[(4-methylpiperazino)carbonyl]-2(1H)-pyridinone
CID 1478481
Azepan-1-yl-[1-(3-chlorobenzoyl)piperidin-3-yl]methanone
CID 662429
1-(4-chlorobenzyl)-N-(propan-2-yl)piperidine-4-carboxamide
CID 762829
Cambridge id 5260289
CID 2838041
1-(3,4-difluorobenzyl)-N,N-diethyl-3-piperidinecarboxamide
CID 2838224
1-[(3-chlorophenyl)methyl]-N-methyl-N-(phenylmethyl)-3-piperidinecarboxamide
CID 3500831

Frequently Asked Questions

What is the IUPAC name of 1-[(3-chlorophenyl)methyl]-N,N-diethylpiperidine-3-carboxamide?
The IUPAC name of 1-[(3-chlorophenyl)methyl]-N,N-diethylpiperidine-3-carboxamide (CID 2838441) is 1-[(3-chlorophenyl)methyl]-N,N-diethylpiperidine-3-carboxamide.
What is the SMILES notation for 1-[(3-chlorophenyl)methyl]-N,N-diethylpiperidine-3-carboxamide?
The canonical SMILES for 1-[(3-chlorophenyl)methyl]-N,N-diethylpiperidine-3-carboxamide is CCN(CC)C(=O)C1CCCN(Cc2cccc(Cl)c2)C1.
What is the InChIKey of 1-[(3-chlorophenyl)methyl]-N,N-diethylpiperidine-3-carboxamide?
The InChIKey is UPMSIIUPFDIZBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClN2O/c1-3-20(4-2)17(21)15-8-6-10-19(13-15)12-14-7-5-9-16(18)11-14/h5,7,9,11,15H,3-4,6,8,10,12-13H2,1-2H3.
What are the key properties of 1-[(3-chlorophenyl)methyl]-N,N-diethylpiperidine-3-carboxamide?
1-[(3-chlorophenyl)methyl]-N,N-diethylpiperidine-3-carboxamide has a molecular weight of 308.85 g/mol, XLogP of 3.42, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-chlorophenyl)methyl]-N,N-diethylpiperidine-3-carboxamide is sourced from PubChem (CID 2838441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).