1-[(3-chlorophenyl)methyl]-N,N-bis(prop-2-enyl)piperidine-4-carboxamide

C19H25ClN2O — CID 1096606

IUPAC1-[(3-chlorophenyl)methyl]-N,N-bis(prop-2-enyl)piperidine-4-carboxamide
SMILESC=CCN(CC=C)C(=O)C1CCN(Cc2cccc(Cl)c2)CC1
InChIInChI=1S/C19H25ClN2O/c1-3-10-22(11-4-2)19(23)17-8-12-21(13-9-17)15-16-6-5-7-18(20)14-16/h3-7,14,17H,1-2,8-13,15H2
InChIKeyCITRPVCYKJGNHN-UHFFFAOYSA-N
MW332.88 g/mol
LogP3.75
Rot. Bonds7

About 1-[(3-chlorophenyl)methyl]-N,N-bis(prop-2-enyl)piperidine-4-carboxamide

1-[(3-chlorophenyl)methyl]-N,N-bis(prop-2-enyl)piperidine-4-carboxamide (PubChem CID 1096606) has the molecular formula C19H25ClN2O and a molecular weight of 332.88 g/mol. Its IUPAC name is 1-[(3-chlorophenyl)methyl]-N,N-bis(prop-2-enyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(3-chlorophenyl)methyl]-N,N-bis(prop-2-enyl)piperidine-4-carboxamide
PubChem CID1096606
Molecular FormulaC19H25ClN2O
Molecular Weight332.88 g/mol
Exact Mass332.17
IUPAC Name1-[(3-chlorophenyl)methyl]-N,N-bis(prop-2-enyl)piperidine-4-carboxamide
SMILESC=CCN(CC=C)C(=O)C1CCN(Cc2cccc(Cl)c2)CC1
InChIInChI=1S/C19H25ClN2O/c1-3-10-22(11-4-2)19(23)17-8-12-21(13-9-17)15-16-6-5-7-18(20)14-16/h3-7,14,17H,1-2,8-13,15H2
InChIKeyCITRPVCYKJGNHN-UHFFFAOYSA-N
XLogP3.75
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.88
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[[1-[(3-chlorophenyl)methyl]pyrrol-2-yl]methyl]-N-prop-2-enylcyclobutanecarboxamide
CID 810323
1-[(3-chlorophenyl)methyl]pyrrolidine-3-carboxylic acid
CID 51063843
(3S)-1-[(3-chlorophenyl)methyl]pyrrolidine-3-carboxylic acid
CID 28875744
1-[1-[(3-chlorophenyl)methyl]pyrrolidin-3-yl]ethanone
CID 83980928
ethyl 1-[(3-chlorophenyl)methyl]piperidine-4-carboxylate
CID 764602
1-[(3-chlorophenyl)methyl]-N-phenylpiperidine-4-carboxamide
CID 18089102
1-[(3-chlorophenyl)methyl]pyrrolidine
CID 12738005
[1-[(3-chlorophenyl)methyl]piperidin-4-yl]methanol
CID 47035134
3-(1-benzylpiperidin-4-yl)-1,1-bis(prop-2-enyl)urea
CID 127574650
1-[(3-chlorophenyl)methyl]-N-(2,3-dichlorophenyl)piperidine-4-carboxamide
CID 45012297
[1-[1-[(3-chlorophenyl)methyl]piperidin-4-yl]piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 42216623
N-[[4-(azepan-1-ylmethyl)phenyl]methyl]-1-[(3-chlorophenyl)methyl]piperidine-4-carboxamide
CID 43917657

Frequently Asked Questions

What is the IUPAC name of 1-[(3-chlorophenyl)methyl]-N,N-bis(prop-2-enyl)piperidine-4-carboxamide?
The IUPAC name of 1-[(3-chlorophenyl)methyl]-N,N-bis(prop-2-enyl)piperidine-4-carboxamide (CID 1096606) is 1-[(3-chlorophenyl)methyl]-N,N-bis(prop-2-enyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[(3-chlorophenyl)methyl]-N,N-bis(prop-2-enyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[(3-chlorophenyl)methyl]-N,N-bis(prop-2-enyl)piperidine-4-carboxamide is C=CCN(CC=C)C(=O)C1CCN(Cc2cccc(Cl)c2)CC1.
What is the InChIKey of 1-[(3-chlorophenyl)methyl]-N,N-bis(prop-2-enyl)piperidine-4-carboxamide?
The InChIKey is CITRPVCYKJGNHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25ClN2O/c1-3-10-22(11-4-2)19(23)17-8-12-21(13-9-17)15-16-6-5-7-18(20)14-16/h3-7,14,17H,1-2,8-13,15H2.
What are the key properties of 1-[(3-chlorophenyl)methyl]-N,N-bis(prop-2-enyl)piperidine-4-carboxamide?
1-[(3-chlorophenyl)methyl]-N,N-bis(prop-2-enyl)piperidine-4-carboxamide has a molecular weight of 332.88 g/mol, XLogP of 3.75, 7 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-bis(prop-2-enyl)piperidine-4-carboxamide is sourced from PubChem (CID 1096606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).