1-[[3-[[[(E)-3-(2-methoxyphenyl)prop-2-enyl]amino]methyl]phenyl]methyl]piperidine-3-carboxamide

C24H31N3O2 — CID 119125827

IUPAC1-[[3-[[[(E)-3-(2-methoxyphenyl)prop-2-enyl]amino]methyl]phenyl]methyl]piperidine-3-carboxamide
SMILESCOc1ccccc1/C=C/CNCc1cccc(CN2CCCC(C(N)=O)C2)c1
InChIInChI=1S/C24H31N3O2/c1-29-23-12-3-2-9-21(23)10-5-13-26-16-19-7-4-8-20(15-19)17-27-14-6-11-22(18-27)24(25)28/h2-5,7-10,12,15,22,26H,6,11,13-14,16-18H2,1H3,(H2,25,28)/b10-5+
InChIKeyJEDGZRWTSSRIGL-BJMVGYQFSA-N
MW393.53 g/mol
LogP3.20
Rot. Bonds9

About 1-[[3-[[[(E)-3-(2-methoxyphenyl)prop-2-enyl]amino]methyl]phenyl]methyl]piperidine-3-carboxamide

1-[[3-[[[(E)-3-(2-methoxyphenyl)prop-2-enyl]amino]methyl]phenyl]methyl]piperidine-3-carboxamide (PubChem CID 119125827) has the molecular formula C24H31N3O2 and a molecular weight of 393.53 g/mol. Its IUPAC name is 1-[[3-[[[(E)-3-(2-methoxyphenyl)prop-2-enyl]amino]methyl]phenyl]methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[[3-[[[(E)-3-(2-methoxyphenyl)prop-2-enyl]amino]methyl]phenyl]methyl]piperidine-3-carboxamide
PubChem CID119125827
Molecular FormulaC24H31N3O2
Molecular Weight393.53 g/mol
Exact Mass393.24
IUPAC Name1-[[3-[[[(E)-3-(2-methoxyphenyl)prop-2-enyl]amino]methyl]phenyl]methyl]piperidine-3-carboxamide
SMILESCOc1ccccc1/C=C/CNCc1cccc(CN2CCCC(C(N)=O)C2)c1
InChIInChI=1S/C24H31N3O2/c1-29-23-12-3-2-9-21(23)10-5-13-26-16-19-7-4-8-20(15-19)17-27-14-6-11-22(18-27)24(25)28/h2-5,7-10,12,15,22,26H,6,11,13-14,16-18H2,1H3,(H2,25,28)/b10-5+
InChIKeyJEDGZRWTSSRIGL-BJMVGYQFSA-N
XLogP3.20
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.53
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-[[3-[[[(E)-3-(2-methoxyphenyl)prop-2-enyl]amino]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

(3S)-1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]piperidine-3-carboxamide
CID 30981483
1-[[3-[[(2-propan-2-yloxyphenyl)methylamino]methyl]phenyl]methyl]piperidine-3-carboxamide
CID 119125805
1-[[3-[[(4-ethylphenyl)methylamino]methyl]phenyl]methyl]piperidine-3-carboxamide
CID 119125867
1-[[3-[[(2,4,6-trimethylphenyl)methylamino]methyl]phenyl]methyl]piperidine-3-carboxamide
CID 119125866
1-[[3-[[[2-(cyclopropylmethylamino)acetyl]amino]methyl]phenyl]methyl]piperidine-3-carboxamide
CID 119877013
1-[[3-[(pyridin-3-ylmethylamino)methyl]phenyl]methyl]piperidine-3-carboxamide
CID 119125840
1-[[3-[[(3-cyanophenyl)methylamino]methyl]phenyl]methyl]piperidine-3-carboxamide
CID 119125792
1-[[3-[(prop-2-enoylamino)methyl]phenyl]methyl]piperidine-3-carboxamide
CID 154865397
(3R)-1-[[3-[[(3-methylthiophen-2-yl)methylamino]methyl]phenyl]methyl]piperidine-3-carboxamide
CID 124552718
1-[(4-methoxy-3-methylphenyl)methyl]piperidine-3-carboxamide
CID 6456310
1-[[3-[[[(2R)-2-aminopropanoyl]amino]methyl]phenyl]methyl]piperidine-3-carboxamide
CID 119877009
1-[[3-[[[(2R)-2-aminopropanoyl]amino]methyl]phenyl]methyl]piperidine-3-carboxamide;dihydrochloride
CID 119877008

Frequently Asked Questions

What is the IUPAC name of 1-[[3-[[[(E)-3-(2-methoxyphenyl)prop-2-enyl]amino]methyl]phenyl]methyl]piperidine-3-carboxamide?
The IUPAC name of 1-[[3-[[[(E)-3-(2-methoxyphenyl)prop-2-enyl]amino]methyl]phenyl]methyl]piperidine-3-carboxamide (CID 119125827) is 1-[[3-[[[(E)-3-(2-methoxyphenyl)prop-2-enyl]amino]methyl]phenyl]methyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-[[3-[[[(E)-3-(2-methoxyphenyl)prop-2-enyl]amino]methyl]phenyl]methyl]piperidine-3-carboxamide?
The canonical SMILES for 1-[[3-[[[(E)-3-(2-methoxyphenyl)prop-2-enyl]amino]methyl]phenyl]methyl]piperidine-3-carboxamide is COc1ccccc1/C=C/CNCc1cccc(CN2CCCC(C(N)=O)C2)c1.
What is the InChIKey of 1-[[3-[[[(E)-3-(2-methoxyphenyl)prop-2-enyl]amino]methyl]phenyl]methyl]piperidine-3-carboxamide?
The InChIKey is JEDGZRWTSSRIGL-BJMVGYQFSA-N. The full InChI is InChI=1S/C24H31N3O2/c1-29-23-12-3-2-9-21(23)10-5-13-26-16-19-7-4-8-20(15-19)17-27-14-6-11-22(18-27)24(25)28/h2-5,7-10,12,15,22,26H,6,11,13-14,16-18H2,1H3,(H2,25,28)/b10-5+.
What are the key properties of 1-[[3-[[[(E)-3-(2-methoxyphenyl)prop-2-enyl]amino]methyl]phenyl]methyl]piperidine-3-carboxamide?
1-[[3-[[[(E)-3-(2-methoxyphenyl)prop-2-enyl]amino]methyl]phenyl]methyl]piperidine-3-carboxamide has a molecular weight of 393.53 g/mol, XLogP of 3.20, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-[[[(E)-3-(2-methoxyphenyl)prop-2-enyl]amino]methyl]phenyl]methyl]piperidine-3-carboxamide is sourced from PubChem (CID 119125827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).