N-[(2-chlorophenyl)methyl]-1-[(2-hydroxy-3-methoxyphenyl)methyl]piperidine-4-carboxamide

C21H25ClN2O3 — CID 4319711

IUPACN-[(2-chlorophenyl)methyl]-1-[(2-hydroxy-3-methoxyphenyl)methyl]piperidine-4-carboxamide
SMILESCOc1cccc(CN2CCC(C(=O)NCc3ccccc3Cl)CC2)c1O
InChIInChI=1S/C21H25ClN2O3/c1-27-19-8-4-6-17(20(19)25)14-24-11-9-15(10-12-24)21(26)23-13-16-5-2-3-7-18(16)22/h2-8,15,25H,9-14H2,1H3,(H,23,26)
InChIKeyIWSXJMLCBZSJJW-UHFFFAOYSA-N
MW388.90 g/mol
LogP3.58
Rot. Bonds6

About N-[(2-chlorophenyl)methyl]-1-[(2-hydroxy-3-methoxyphenyl)methyl]piperidine-4-carboxamide

N-[(2-chlorophenyl)methyl]-1-[(2-hydroxy-3-methoxyphenyl)methyl]piperidine-4-carboxamide (PubChem CID 4319711) has the molecular formula C21H25ClN2O3 and a molecular weight of 388.90 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-1-[(2-hydroxy-3-methoxyphenyl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-1-[(2-hydroxy-3-methoxyphenyl)methyl]piperidine-4-carboxamide
PubChem CID4319711
Molecular FormulaC21H25ClN2O3
Molecular Weight388.90 g/mol
Exact Mass388.16
IUPAC NameN-[(2-chlorophenyl)methyl]-1-[(2-hydroxy-3-methoxyphenyl)methyl]piperidine-4-carboxamide
SMILESCOc1cccc(CN2CCC(C(=O)NCc3ccccc3Cl)CC2)c1O
InChIInChI=1S/C21H25ClN2O3/c1-27-19-8-4-6-17(20(19)25)14-24-11-9-15(10-12-24)21(26)23-13-16-5-2-3-7-18(16)22/h2-8,15,25H,9-14H2,1H3,(H,23,26)
InChIKeyIWSXJMLCBZSJJW-UHFFFAOYSA-N
XLogP3.58
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.90
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

1-[(2-chlorophenyl)methyl]-N-[(3,4,5-trimethoxyphenyl)methyl]piperidine-4-carboxamide
CID 46775353
1-[(2-chlorophenyl)methyl]-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 25246790
N-tert-butyl-1-[(2-hydroxy-3-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 795625
1-[(2-hydroxy-3-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 3884860
1-[(2-chlorophenyl)methyl]-N-[(4-chlorophenyl)methyl]piperidine-4-carboxamide
CID 45007673
1-[(2-chlorophenyl)methyl]-N-[(3-methylphenyl)methyl]piperidine-4-carboxamide
CID 45021309
1-[(2-methoxyphenyl)methyl]-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 1096579
1-[(3-ethoxy-2-hydroxyphenyl)methyl]-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide
CID 3316052
1-[(3-ethoxy-2-hydroxyphenyl)methyl]-N-(2-methoxyethyl)piperidine-4-carboxamide
CID 30137372
N-[(2-chlorophenyl)methyl]-1-[(3,4-dichlorophenyl)methyl]piperidine-4-carboxamide
CID 53284707
1-[(2-chlorophenyl)methyl]-N-[[3-(piperidin-1-ylmethyl)phenyl]methyl]piperidine-4-carboxamide
CID 43917643
1-(2-amino-2-oxoethyl)-N-[(2-chlorophenyl)methyl]piperidine-4-carboxamide
CID 16909154

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-1-[(2-hydroxy-3-methoxyphenyl)methyl]piperidine-4-carboxamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-1-[(2-hydroxy-3-methoxyphenyl)methyl]piperidine-4-carboxamide (CID 4319711) is N-[(2-chlorophenyl)methyl]-1-[(2-hydroxy-3-methoxyphenyl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-1-[(2-hydroxy-3-methoxyphenyl)methyl]piperidine-4-carboxamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-1-[(2-hydroxy-3-methoxyphenyl)methyl]piperidine-4-carboxamide is COc1cccc(CN2CCC(C(=O)NCc3ccccc3Cl)CC2)c1O.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-1-[(2-hydroxy-3-methoxyphenyl)methyl]piperidine-4-carboxamide?
The InChIKey is IWSXJMLCBZSJJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN2O3/c1-27-19-8-4-6-17(20(19)25)14-24-11-9-15(10-12-24)21(26)23-13-16-5-2-3-7-18(16)22/h2-8,15,25H,9-14H2,1H3,(H,23,26).
What are the key properties of N-[(2-chlorophenyl)methyl]-1-[(2-hydroxy-3-methoxyphenyl)methyl]piperidine-4-carboxamide?
N-[(2-chlorophenyl)methyl]-1-[(2-hydroxy-3-methoxyphenyl)methyl]piperidine-4-carboxamide has a molecular weight of 388.90 g/mol, XLogP of 3.58, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-1-[(2-hydroxy-3-methoxyphenyl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 4319711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).