N-(4-chloro-2,5-dimethoxyphenyl)-1-phenylpiperidine-4-carboxamide

C20H23ClN2O3 — CID 17152391

IUPACN-(4-chloro-2,5-dimethoxyphenyl)-1-phenylpiperidine-4-carboxamide
SMILESCOc1cc(NC(=O)C2CCN(c3ccccc3)CC2)c(OC)cc1Cl
InChIInChI=1S/C20H23ClN2O3/c1-25-18-13-17(19(26-2)12-16(18)21)22-20(24)14-8-10-23(11-9-14)15-6-4-3-5-7-15/h3-7,12-14H,8-11H2,1-2H3,(H,22,24)
InChIKeyXLYXPINPNNKMDC-UHFFFAOYSA-N
MW374.87 g/mol
LogP4.21
Rot. Bonds5

About N-(4-chloro-2,5-dimethoxyphenyl)-1-phenylpiperidine-4-carboxamide

N-(4-chloro-2,5-dimethoxyphenyl)-1-phenylpiperidine-4-carboxamide (PubChem CID 17152391) has the molecular formula C20H23ClN2O3 and a molecular weight of 374.87 g/mol. Its IUPAC name is N-(4-chloro-2,5-dimethoxyphenyl)-1-phenylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-2,5-dimethoxyphenyl)-1-phenylpiperidine-4-carboxamide
PubChem CID17152391
Molecular FormulaC20H23ClN2O3
Molecular Weight374.87 g/mol
Exact Mass374.14
IUPAC NameN-(4-chloro-2,5-dimethoxyphenyl)-1-phenylpiperidine-4-carboxamide
SMILESCOc1cc(NC(=O)C2CCN(c3ccccc3)CC2)c(OC)cc1Cl
InChIInChI=1S/C20H23ClN2O3/c1-25-18-13-17(19(26-2)12-16(18)21)22-20(24)14-8-10-23(11-9-14)15-6-4-3-5-7-15/h3-7,12-14H,8-11H2,1-2H3,(H,22,24)
InChIKeyXLYXPINPNNKMDC-UHFFFAOYSA-N
XLogP4.21
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.87
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-chloro-2,5-dimethoxyphenyl)-1-(3-chlorophenyl)piperidine-4-carboxamide
CID 17153018
N-(5-chloro-2-methoxyphenyl)-1-phenylpiperidine-4-carboxamide
CID 17152311
1-acetyl-N-(4-chloro-2,5-dimethoxyphenyl)piperidine-4-carboxamide
CID 6466145
1-phenyl-N-(2,4,5-trichlorophenyl)piperidine-4-carboxamide
CID 17152279
N-(2-methoxy-5-nitrophenyl)-1-phenylpiperidine-4-carboxamide
CID 17152327
N-(2-methoxyphenyl)-1-pyridin-4-ylpiperidine-4-carboxamide
CID 46384770
N-(4-chloro-2,5-dimethoxyphenyl)thiane-4-carboxamide
CID 110864457
3-[(4-chloro-2,5-dimethoxyphenyl)carbamoyl]-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
CID 17379153
N-(4-chloro-2,5-dimethoxyphenyl)-2-(4-pyrrolidin-1-ylphenyl)acetamide
CID 110651208
N-(4-chloro-2,5-dimethoxyphenyl)-1-[(3-methylphenyl)methyl]piperidine-4-carboxamide
CID 45012607
N-(3,5-dichlorophenyl)-1-phenylpiperidine-4-carboxamide
CID 17152302
N-[2-chloro-5-(trifluoromethyl)phenyl]-1-phenylpiperidine-4-carboxamide
CID 17152284

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2,5-dimethoxyphenyl)-1-phenylpiperidine-4-carboxamide?
The IUPAC name of N-(4-chloro-2,5-dimethoxyphenyl)-1-phenylpiperidine-4-carboxamide (CID 17152391) is N-(4-chloro-2,5-dimethoxyphenyl)-1-phenylpiperidine-4-carboxamide.
What is the SMILES notation for N-(4-chloro-2,5-dimethoxyphenyl)-1-phenylpiperidine-4-carboxamide?
The canonical SMILES for N-(4-chloro-2,5-dimethoxyphenyl)-1-phenylpiperidine-4-carboxamide is COc1cc(NC(=O)C2CCN(c3ccccc3)CC2)c(OC)cc1Cl.
What is the InChIKey of N-(4-chloro-2,5-dimethoxyphenyl)-1-phenylpiperidine-4-carboxamide?
The InChIKey is XLYXPINPNNKMDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O3/c1-25-18-13-17(19(26-2)12-16(18)21)22-20(24)14-8-10-23(11-9-14)15-6-4-3-5-7-15/h3-7,12-14H,8-11H2,1-2H3,(H,22,24).
What are the key properties of N-(4-chloro-2,5-dimethoxyphenyl)-1-phenylpiperidine-4-carboxamide?
N-(4-chloro-2,5-dimethoxyphenyl)-1-phenylpiperidine-4-carboxamide has a molecular weight of 374.87 g/mol, XLogP of 4.21, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2,5-dimethoxyphenyl)-1-phenylpiperidine-4-carboxamide is sourced from PubChem (CID 17152391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).