1-[[3-[[(3-cyanophenyl)methylamino]methyl]phenyl]methyl]piperidine-3-carboxamide

C22H26N4O — CID 119125792

IUPAC1-[[3-[[(3-cyanophenyl)methylamino]methyl]phenyl]methyl]piperidine-3-carboxamide
SMILESN#Cc1cccc(CNCc2cccc(CN3CCCC(C(N)=O)C3)c2)c1
InChIInChI=1S/C22H26N4O/c23-12-17-4-1-5-18(10-17)13-25-14-19-6-2-7-20(11-19)15-26-9-3-8-21(16-26)22(24)27/h1-2,4-7,10-11,21,25H,3,8-9,13-16H2,(H2,24,27)
InChIKeyFFESEJUQAGVPPA-UHFFFAOYSA-N
MW362.48 g/mol
LogP2.55
Rot. Bonds7

About 1-[[3-[[(3-cyanophenyl)methylamino]methyl]phenyl]methyl]piperidine-3-carboxamide

1-[[3-[[(3-cyanophenyl)methylamino]methyl]phenyl]methyl]piperidine-3-carboxamide (PubChem CID 119125792) has the molecular formula C22H26N4O and a molecular weight of 362.48 g/mol. Its IUPAC name is 1-[[3-[[(3-cyanophenyl)methylamino]methyl]phenyl]methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[[3-[[(3-cyanophenyl)methylamino]methyl]phenyl]methyl]piperidine-3-carboxamide
PubChem CID119125792
Molecular FormulaC22H26N4O
Molecular Weight362.48 g/mol
Exact Mass362.21
IUPAC Name1-[[3-[[(3-cyanophenyl)methylamino]methyl]phenyl]methyl]piperidine-3-carboxamide
SMILESN#Cc1cccc(CNCc2cccc(CN3CCCC(C(N)=O)C3)c2)c1
InChIInChI=1S/C22H26N4O/c23-12-17-4-1-5-18(10-17)13-25-14-19-6-2-7-20(11-19)15-26-9-3-8-21(16-26)22(24)27/h1-2,4-7,10-11,21,25H,3,8-9,13-16H2,(H2,24,27)
InChIKeyFFESEJUQAGVPPA-UHFFFAOYSA-N
XLogP2.55
TPSA82.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.48
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[[3-[[(3-cyanophenyl)methylamino]methyl]phenyl]methyl]piperidine-3-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-[[(4-ethylphenyl)methylamino]methyl]phenyl]methyl]piperidine-3-carboxamide
CID 119125867
1-[[3-[(pyridin-3-ylmethylamino)methyl]phenyl]methyl]piperidine-3-carboxamide
CID 119125840
1-[[3-[[(2,4,6-trimethylphenyl)methylamino]methyl]phenyl]methyl]piperidine-3-carboxamide
CID 119125866
1-[[3-[(1H-imidazol-2-ylmethylamino)methyl]phenyl]methyl]piperidine-3-carboxamide
CID 119126186
(3R)-1-[[3-[[(3-methylthiophen-2-yl)methylamino]methyl]phenyl]methyl]piperidine-3-carboxamide
CID 124552718
1-[[3-[[[2-(cyclopropylmethylamino)acetyl]amino]methyl]phenyl]methyl]piperidine-3-carboxamide
CID 119877013
(3R)-1-[[3-[[(4-cyano-3-pyridinyl)amino]methyl]phenyl]methyl]piperidine-3-carboxamide
CID 97160993
1-[[3-[(2-cyano-4-fluoroanilino)methyl]phenyl]methyl]piperidine-3-carboxamide
CID 133320904
1-[[3-[[[2-(3-fluorophenyl)-2-hydroxyethyl]amino]methyl]phenyl]methyl]piperidine-3-carboxamide
CID 167825637
1-[[3-[(prop-2-enoylamino)methyl]phenyl]methyl]piperidine-3-carboxamide
CID 154865397
(3R)-1-[[3-[[(1,3,5-trimethylpyrazol-4-yl)methylamino]methyl]phenyl]methyl]piperidine-3-carboxamide
CID 124552710
1-[[3-[[[(2S,4S)-2-methylpiperidine-4-carbonyl]amino]methyl]phenyl]methyl]piperidine-3-carboxamide
CID 120636131

Frequently Asked Questions

What is the IUPAC name of 1-[[3-[[(3-cyanophenyl)methylamino]methyl]phenyl]methyl]piperidine-3-carboxamide?
The IUPAC name of 1-[[3-[[(3-cyanophenyl)methylamino]methyl]phenyl]methyl]piperidine-3-carboxamide (CID 119125792) is 1-[[3-[[(3-cyanophenyl)methylamino]methyl]phenyl]methyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-[[3-[[(3-cyanophenyl)methylamino]methyl]phenyl]methyl]piperidine-3-carboxamide?
The canonical SMILES for 1-[[3-[[(3-cyanophenyl)methylamino]methyl]phenyl]methyl]piperidine-3-carboxamide is N#Cc1cccc(CNCc2cccc(CN3CCCC(C(N)=O)C3)c2)c1.
What is the InChIKey of 1-[[3-[[(3-cyanophenyl)methylamino]methyl]phenyl]methyl]piperidine-3-carboxamide?
The InChIKey is FFESEJUQAGVPPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O/c23-12-17-4-1-5-18(10-17)13-25-14-19-6-2-7-20(11-19)15-26-9-3-8-21(16-26)22(24)27/h1-2,4-7,10-11,21,25H,3,8-9,13-16H2,(H2,24,27).
What are the key properties of 1-[[3-[[(3-cyanophenyl)methylamino]methyl]phenyl]methyl]piperidine-3-carboxamide?
1-[[3-[[(3-cyanophenyl)methylamino]methyl]phenyl]methyl]piperidine-3-carboxamide has a molecular weight of 362.48 g/mol, XLogP of 2.55, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-[[(3-cyanophenyl)methylamino]methyl]phenyl]methyl]piperidine-3-carboxamide is sourced from PubChem (CID 119125792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).