1-[(4-chlorophenyl)methyl]-N-[1-(2,5-dimethoxyphenyl)ethyl]piperidine-4-carboxamide

C23H29ClN2O3 — CID 133161823

IUPAC1-[(4-chlorophenyl)methyl]-N-[1-(2,5-dimethoxyphenyl)ethyl]piperidine-4-carboxamide
SMILESCOc1ccc(OC)c(C(C)NC(=O)C2CCN(Cc3ccc(Cl)cc3)CC2)c1
InChIInChI=1S/C23H29ClN2O3/c1-16(21-14-20(28-2)8-9-22(21)29-3)25-23(27)18-10-12-26(13-11-18)15-17-4-6-19(24)7-5-17/h4-9,14,16,18H,10-13,15H2,1-3H3,(H,25,27)
InChIKeyUNTOEHMFBBTAOI-UHFFFAOYSA-N
MW416.95 g/mol
LogP4.45
Rot. Bonds7

About 1-[(4-chlorophenyl)methyl]-N-[1-(2,5-dimethoxyphenyl)ethyl]piperidine-4-carboxamide

1-[(4-chlorophenyl)methyl]-N-[1-(2,5-dimethoxyphenyl)ethyl]piperidine-4-carboxamide (PubChem CID 133161823) has the molecular formula C23H29ClN2O3 and a molecular weight of 416.95 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-N-[1-(2,5-dimethoxyphenyl)ethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-N-[1-(2,5-dimethoxyphenyl)ethyl]piperidine-4-carboxamide
PubChem CID133161823
Molecular FormulaC23H29ClN2O3
Molecular Weight416.95 g/mol
Exact Mass416.19
IUPAC Name1-[(4-chlorophenyl)methyl]-N-[1-(2,5-dimethoxyphenyl)ethyl]piperidine-4-carboxamide
SMILESCOc1ccc(OC)c(C(C)NC(=O)C2CCN(Cc3ccc(Cl)cc3)CC2)c1
InChIInChI=1S/C23H29ClN2O3/c1-16(21-14-20(28-2)8-9-22(21)29-3)25-23(27)18-10-12-26(13-11-18)15-17-4-6-19(24)7-5-17/h4-9,14,16,18H,10-13,15H2,1-3H3,(H,25,27)
InChIKeyUNTOEHMFBBTAOI-UHFFFAOYSA-N
XLogP4.45
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.95
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-1-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
CID 100773907
N-[1-(2,5-dimethoxyphenyl)ethyl]-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide
CID 51221677
1-[(4-methoxyphenyl)methyl]-N-[(1R)-1-phenylethyl]piperidine-4-carboxamide
CID 51361840
1-[(4-chlorophenyl)methyl]-N-[(2,5-dimethoxyphenyl)methylideneamino]piperidine-4-carboxamide
CID 1275389
1-[(4-chlorophenyl)methyl]-N-[1-(2,4-dimethylphenyl)ethyl]piperidine-4-carboxamide
CID 46776367
(3R)-1-[(2-chlorophenyl)methyl]-N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]piperidine-3-carboxamide
CID 100662416
1-[(4-chlorophenyl)methyl]-N-[(1R)-1-phenylethyl]piperidine-4-carboxamide
CID 2187102
1-[(4-methoxyphenyl)methyl]-N-(1-methoxypropan-2-yl)piperidine-4-carboxamide
CID 51361839
3-(4-chlorophenyl)-N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]propanamide
CID 31948443
1-[(2,6-dichlorophenyl)methyl]-N-[(1R)-1-(2-methoxyphenyl)ethyl]piperidine-4-carboxamide
CID 100621527
1-[(4-chlorophenyl)methyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]piperidine-4-carboxamide
CID 1080752
1-[(4-bromophenyl)methyl]-N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]piperidine-4-carboxamide
CID 133217343

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]-N-[1-(2,5-dimethoxyphenyl)ethyl]piperidine-4-carboxamide?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-N-[1-(2,5-dimethoxyphenyl)ethyl]piperidine-4-carboxamide (CID 133161823) is 1-[(4-chlorophenyl)methyl]-N-[1-(2,5-dimethoxyphenyl)ethyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-N-[1-(2,5-dimethoxyphenyl)ethyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-N-[1-(2,5-dimethoxyphenyl)ethyl]piperidine-4-carboxamide is COc1ccc(OC)c(C(C)NC(=O)C2CCN(Cc3ccc(Cl)cc3)CC2)c1.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-N-[1-(2,5-dimethoxyphenyl)ethyl]piperidine-4-carboxamide?
The InChIKey is UNTOEHMFBBTAOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29ClN2O3/c1-16(21-14-20(28-2)8-9-22(21)29-3)25-23(27)18-10-12-26(13-11-18)15-17-4-6-19(24)7-5-17/h4-9,14,16,18H,10-13,15H2,1-3H3,(H,25,27).
What are the key properties of 1-[(4-chlorophenyl)methyl]-N-[1-(2,5-dimethoxyphenyl)ethyl]piperidine-4-carboxamide?
1-[(4-chlorophenyl)methyl]-N-[1-(2,5-dimethoxyphenyl)ethyl]piperidine-4-carboxamide has a molecular weight of 416.95 g/mol, XLogP of 4.45, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]-N-[1-(2,5-dimethoxyphenyl)ethyl]piperidine-4-carboxamide is sourced from PubChem (CID 133161823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).