1-[(2-chlorophenyl)methyl]-N-(3-prop-2-enoxyphenyl)piperidine-3-carboxamide

C22H25ClN2O2 — CID 43925362

IUPAC1-[(2-chlorophenyl)methyl]-N-(3-prop-2-enoxyphenyl)piperidine-3-carboxamide
SMILESC=CCOc1cccc(NC(=O)C2CCCN(Cc3ccccc3Cl)C2)c1
InChIInChI=1S/C22H25ClN2O2/c1-2-13-27-20-10-5-9-19(14-20)24-22(26)18-8-6-12-25(16-18)15-17-7-3-4-11-21(17)23/h2-5,7,9-11,14,18H,1,6,8,12-13,15-16H2,(H,24,26)
InChIKeyIQZKSHZSSJGOBQ-UHFFFAOYSA-N
MW384.91 g/mol
LogP4.76
Rot. Bonds7

About 1-[(2-chlorophenyl)methyl]-N-(3-prop-2-enoxyphenyl)piperidine-3-carboxamide

1-[(2-chlorophenyl)methyl]-N-(3-prop-2-enoxyphenyl)piperidine-3-carboxamide (PubChem CID 43925362) has the molecular formula C22H25ClN2O2 and a molecular weight of 384.91 g/mol. Its IUPAC name is 1-[(2-chlorophenyl)methyl]-N-(3-prop-2-enoxyphenyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[(2-chlorophenyl)methyl]-N-(3-prop-2-enoxyphenyl)piperidine-3-carboxamide
PubChem CID43925362
Molecular FormulaC22H25ClN2O2
Molecular Weight384.91 g/mol
Exact Mass384.16
IUPAC Name1-[(2-chlorophenyl)methyl]-N-(3-prop-2-enoxyphenyl)piperidine-3-carboxamide
SMILESC=CCOc1cccc(NC(=O)C2CCCN(Cc3ccccc3Cl)C2)c1
InChIInChI=1S/C22H25ClN2O2/c1-2-13-27-20-10-5-9-19(14-20)24-22(26)18-8-6-12-25(16-18)15-17-7-3-4-11-21(17)23/h2-5,7,9-11,14,18H,1,6,8,12-13,15-16H2,(H,24,26)
InChIKeyIQZKSHZSSJGOBQ-UHFFFAOYSA-N
XLogP4.76
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.91
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[(2-chlorophenyl)methyl]-N-(3,4-dichlorophenyl)piperidine-3-carboxamide
CID 43925064
1-[(2-chlorophenyl)methyl]-N-[3-(trifluoromethyl)phenyl]piperidine-3-carboxamide
CID 43919998
1-[(2-chlorophenyl)methyl]-N-(4-ethoxyphenyl)piperidine-3-carboxamide
CID 43919760
1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(3-prop-2-enoxyphenyl)piperidine-3-carboxamide
CID 43930487
1-[(2-chlorophenyl)methyl]-N-(4-methoxyphenyl)piperidine-3-carboxamide
CID 43919687
N-(4-bromo-3-methylphenyl)-1-[(2-chlorophenyl)methyl]piperidine-3-carboxamide
CID 43922053
(3S)-1-[(2-chlorophenyl)methyl]-N-(4-phenylmethoxyphenyl)piperidine-3-carboxamide
CID 93491646
1-[(2-fluorophenyl)methyl]-N-(3-methoxyphenyl)piperidine-3-carboxamide
CID 43919659
1-[(2-chlorophenyl)methyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)piperidine-3-carboxamide
CID 43923163
(3S)-1-[(2-chlorophenyl)methyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)piperidine-3-carboxamide
CID 93491855
1-[(2,6-dichlorophenyl)methyl]-N-(3-propan-2-yloxyphenyl)piperidine-3-carboxamide
CID 43925323
(3R)-1-[(4-chlorophenyl)methylsulfonyl]-N-(3-prop-2-enoxyphenyl)piperidine-3-carboxamide
CID 92642045

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chlorophenyl)methyl]-N-(3-prop-2-enoxyphenyl)piperidine-3-carboxamide?
The IUPAC name of 1-[(2-chlorophenyl)methyl]-N-(3-prop-2-enoxyphenyl)piperidine-3-carboxamide (CID 43925362) is 1-[(2-chlorophenyl)methyl]-N-(3-prop-2-enoxyphenyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-[(2-chlorophenyl)methyl]-N-(3-prop-2-enoxyphenyl)piperidine-3-carboxamide?
The canonical SMILES for 1-[(2-chlorophenyl)methyl]-N-(3-prop-2-enoxyphenyl)piperidine-3-carboxamide is C=CCOc1cccc(NC(=O)C2CCCN(Cc3ccccc3Cl)C2)c1.
What is the InChIKey of 1-[(2-chlorophenyl)methyl]-N-(3-prop-2-enoxyphenyl)piperidine-3-carboxamide?
The InChIKey is IQZKSHZSSJGOBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClN2O2/c1-2-13-27-20-10-5-9-19(14-20)24-22(26)18-8-6-12-25(16-18)15-17-7-3-4-11-21(17)23/h2-5,7,9-11,14,18H,1,6,8,12-13,15-16H2,(H,24,26).
What are the key properties of 1-[(2-chlorophenyl)methyl]-N-(3-prop-2-enoxyphenyl)piperidine-3-carboxamide?
1-[(2-chlorophenyl)methyl]-N-(3-prop-2-enoxyphenyl)piperidine-3-carboxamide has a molecular weight of 384.91 g/mol, XLogP of 4.76, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chlorophenyl)methyl]-N-(3-prop-2-enoxyphenyl)piperidine-3-carboxamide is sourced from PubChem (CID 43925362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).