N-[4-(cyanomethyl)phenyl]-1-[(3-methoxyphenyl)methyl]piperidine-4-carboxamide

C22H25N3O2 — CID 43921809

IUPACN-[4-(cyanomethyl)phenyl]-1-[(3-methoxyphenyl)methyl]piperidine-4-carboxamide
SMILESCOc1cccc(CN2CCC(C(=O)Nc3ccc(CC#N)cc3)CC2)c1
InChIInChI=1S/C22H25N3O2/c1-27-21-4-2-3-18(15-21)16-25-13-10-19(11-14-25)22(26)24-20-7-5-17(6-8-20)9-12-23/h2-8,15,19H,9-11,13-14,16H2,1H3,(H,24,26)
InChIKeyXICVKQKNLVGBJQ-UHFFFAOYSA-N
MW363.46 g/mol
LogP3.61
Rot. Bonds6

About N-[4-(cyanomethyl)phenyl]-1-[(3-methoxyphenyl)methyl]piperidine-4-carboxamide

N-[4-(cyanomethyl)phenyl]-1-[(3-methoxyphenyl)methyl]piperidine-4-carboxamide (PubChem CID 43921809) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is N-[4-(cyanomethyl)phenyl]-1-[(3-methoxyphenyl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[4-(cyanomethyl)phenyl]-1-[(3-methoxyphenyl)methyl]piperidine-4-carboxamide
PubChem CID43921809
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC NameN-[4-(cyanomethyl)phenyl]-1-[(3-methoxyphenyl)methyl]piperidine-4-carboxamide
SMILESCOc1cccc(CN2CCC(C(=O)Nc3ccc(CC#N)cc3)CC2)c1
InChIInChI=1S/C22H25N3O2/c1-27-21-4-2-3-18(15-21)16-25-13-10-19(11-14-25)22(26)24-20-7-5-17(6-8-20)9-12-23/h2-8,15,19H,9-11,13-14,16H2,1H3,(H,24,26)
InChIKeyXICVKQKNLVGBJQ-UHFFFAOYSA-N
XLogP3.61
TPSA65.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[4-(cyanomethyl)phenyl]-1-[(3-methoxyphenyl)methyl]piperidine-4-carboxamide 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

1-[(3-methoxyphenyl)methyl]-N-naphthalen-2-ylpiperidine-4-carboxamide
CID 43919627
1-[(3-ethoxyphenyl)methyl]-N-(4-methoxyphenyl)piperidine-4-carboxamide
CID 43919703
N-(3-chloro-4-methylphenyl)-1-[(3-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 43921688
N-(4-methoxyphenyl)-1-[(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 53284727
N-[4-(cyanomethyl)phenyl]-1-[(2-fluorophenyl)methyl]piperidine-4-carboxamide
CID 45007227
N-(2,4-difluorophenyl)-1-[(3-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 43923139
1-[(3-methoxyphenyl)methyl]-N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]piperidine-4-carboxamide
CID 43917834
N-[[3-(azepan-1-ylmethyl)phenyl]methyl]-1-[(3-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 43917846
1-[(3-methoxyphenyl)methyl]-N-(2-phenylethyl)piperidine-4-carboxamide
CID 1343442
(3R,5R)-N-(4-fluorophenyl)-5-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-1-methylpyrrolidine-3-carboxamide
CID 92607866
1-[(3-ethoxyphenyl)methyl]-N-(4-prop-2-enoxyphenyl)piperidine-4-carboxamide
CID 38098399
N-(4-bromo-2-fluorophenyl)-1-[(3-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 38095881

Frequently Asked Questions

What is the IUPAC name of N-[4-(cyanomethyl)phenyl]-1-[(3-methoxyphenyl)methyl]piperidine-4-carboxamide?
The IUPAC name of N-[4-(cyanomethyl)phenyl]-1-[(3-methoxyphenyl)methyl]piperidine-4-carboxamide (CID 43921809) is N-[4-(cyanomethyl)phenyl]-1-[(3-methoxyphenyl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for N-[4-(cyanomethyl)phenyl]-1-[(3-methoxyphenyl)methyl]piperidine-4-carboxamide?
The canonical SMILES for N-[4-(cyanomethyl)phenyl]-1-[(3-methoxyphenyl)methyl]piperidine-4-carboxamide is COc1cccc(CN2CCC(C(=O)Nc3ccc(CC#N)cc3)CC2)c1.
What is the InChIKey of N-[4-(cyanomethyl)phenyl]-1-[(3-methoxyphenyl)methyl]piperidine-4-carboxamide?
The InChIKey is XICVKQKNLVGBJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O2/c1-27-21-4-2-3-18(15-21)16-25-13-10-19(11-14-25)22(26)24-20-7-5-17(6-8-20)9-12-23/h2-8,15,19H,9-11,13-14,16H2,1H3,(H,24,26).
What are the key properties of N-[4-(cyanomethyl)phenyl]-1-[(3-methoxyphenyl)methyl]piperidine-4-carboxamide?
N-[4-(cyanomethyl)phenyl]-1-[(3-methoxyphenyl)methyl]piperidine-4-carboxamide has a molecular weight of 363.46 g/mol, XLogP of 3.61, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(cyanomethyl)phenyl]-1-[(3-methoxyphenyl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 43921809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).