4-methoxy-N-[1-(3-methoxy-4-phenylmethoxyphenyl)ethyl]piperidine-4-carboxamide;hydrochloride

C23H31ClN2O4 — CID 119721259

IUPAC4-methoxy-N-[1-(3-methoxy-4-phenylmethoxyphenyl)ethyl]piperidine-4-carboxamide;hydrochloride
SMILESCOc1cc(C(C)NC(=O)C2(OC)CCNCC2)ccc1OCc1ccccc1.Cl
InChIInChI=1S/C23H30N2O4.ClH/c1-17(25-22(26)23(28-3)11-13-24-14-12-23)19-9-10-20(21(15-19)27-2)29-16-18-7-5-4-6-8-18;/h4-10,15,17,24H,11-14,16H2,1-3H3,(H,25,26);1H
InChIKeyDJWYWIUIITXRRU-UHFFFAOYSA-N
MW434.96 g/mol
LogP3.64
Rot. Bonds8

About 4-methoxy-N-[1-(3-methoxy-4-phenylmethoxyphenyl)ethyl]piperidine-4-carboxamide;hydrochloride

4-methoxy-N-[1-(3-methoxy-4-phenylmethoxyphenyl)ethyl]piperidine-4-carboxamide;hydrochloride (PubChem CID 119721259) has the molecular formula C23H31ClN2O4 and a molecular weight of 434.96 g/mol. Its IUPAC name is 4-methoxy-N-[1-(3-methoxy-4-phenylmethoxyphenyl)ethyl]piperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name4-methoxy-N-[1-(3-methoxy-4-phenylmethoxyphenyl)ethyl]piperidine-4-carboxamide;hydrochloride
PubChem CID119721259
Molecular FormulaC23H31ClN2O4
Molecular Weight434.96 g/mol
Exact Mass434.20
IUPAC Name4-methoxy-N-[1-(3-methoxy-4-phenylmethoxyphenyl)ethyl]piperidine-4-carboxamide;hydrochloride
SMILESCOc1cc(C(C)NC(=O)C2(OC)CCNCC2)ccc1OCc1ccccc1.Cl
InChIInChI=1S/C23H30N2O4.ClH/c1-17(25-22(26)23(28-3)11-13-24-14-12-23)19-9-10-20(21(15-19)27-2)29-16-18-7-5-4-6-8-18;/h4-10,15,17,24H,11-14,16H2,1-3H3,(H,25,26);1H
InChIKeyDJWYWIUIITXRRU-UHFFFAOYSA-N
XLogP3.64
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.96
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-methoxy-N-[1-(3-methoxy-4-phenylmethoxyphenyl)ethyl]piperidine-4-carboxamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-(3-methoxy-4-phenylmethoxyphenyl)ethyl]piperidine-3-carboxamide
CID 119288240
4-methoxy-N-[1-(2-methoxyphenyl)ethyl]piperidine-4-carboxamide;hydrochloride
CID 119683042
2-amino-N-[1-(3-methoxy-4-phenylmethoxyphenyl)ethyl]-2-methylpentanamide;hydrochloride
CID 119721271
N-[1-(3-methoxy-4-phenylmethoxyphenyl)ethyl]-2-methylcyclopropane-1-carboxamide
CID 47063290
2-amino-3-methoxy-N-[1-(3-methoxy-4-phenylmethoxyphenyl)ethyl]propanamide;hydrochloride
CID 120986679
1-amino-N-[1-[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]ethyl]cyclopropane-1-carboxamide;dihydrochloride
CID 119852194
4-methoxy-N-(1-phenylmethoxypropan-2-yl)piperidine-4-carboxamide
CID 119804070
4-(methoxymethyl)-N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]piperidine-4-carboxamide
CID 120623456
4-amino-N-[1-(3-methoxy-4-phenylmethoxyphenyl)ethyl]butanamide
CID 119288244
4-(methoxymethyl)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]piperidine-4-carboxamide;hydrochloride
CID 120618412
4-methoxy-N-[1-(3-propan-2-yloxyphenyl)ethyl]piperidine-4-carboxamide
CID 119721118
N-[1-(3,4-dimethoxyphenyl)ethyl]-3-methylpyrrolidine-3-carboxamide;hydrochloride
CID 119720011

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[1-(3-methoxy-4-phenylmethoxyphenyl)ethyl]piperidine-4-carboxamide;hydrochloride?
The IUPAC name of 4-methoxy-N-[1-(3-methoxy-4-phenylmethoxyphenyl)ethyl]piperidine-4-carboxamide;hydrochloride (CID 119721259) is 4-methoxy-N-[1-(3-methoxy-4-phenylmethoxyphenyl)ethyl]piperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for 4-methoxy-N-[1-(3-methoxy-4-phenylmethoxyphenyl)ethyl]piperidine-4-carboxamide;hydrochloride?
The canonical SMILES for 4-methoxy-N-[1-(3-methoxy-4-phenylmethoxyphenyl)ethyl]piperidine-4-carboxamide;hydrochloride is COc1cc(C(C)NC(=O)C2(OC)CCNCC2)ccc1OCc1ccccc1.Cl.
What is the InChIKey of 4-methoxy-N-[1-(3-methoxy-4-phenylmethoxyphenyl)ethyl]piperidine-4-carboxamide;hydrochloride?
The InChIKey is DJWYWIUIITXRRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O4.ClH/c1-17(25-22(26)23(28-3)11-13-24-14-12-23)19-9-10-20(21(15-19)27-2)29-16-18-7-5-4-6-8-18;/h4-10,15,17,24H,11-14,16H2,1-3H3,(H,25,26);1H.
What are the key properties of 4-methoxy-N-[1-(3-methoxy-4-phenylmethoxyphenyl)ethyl]piperidine-4-carboxamide;hydrochloride?
4-methoxy-N-[1-(3-methoxy-4-phenylmethoxyphenyl)ethyl]piperidine-4-carboxamide;hydrochloride has a molecular weight of 434.96 g/mol, XLogP of 3.64, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[1-(3-methoxy-4-phenylmethoxyphenyl)ethyl]piperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 119721259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).