1-[[3-[(prop-2-enoylamino)methyl]phenyl]methyl]piperidine-3-carboxamide

C17H23N3O2 — CID 154865397

IUPAC1-[[3-[(prop-2-enoylamino)methyl]phenyl]methyl]piperidine-3-carboxamide
SMILESC=CC(=O)NCc1cccc(CN2CCCC(C(N)=O)C2)c1
InChIInChI=1S/C17H23N3O2/c1-2-16(21)19-10-13-5-3-6-14(9-13)11-20-8-4-7-15(12-20)17(18)22/h2-3,5-6,9,15H,1,4,7-8,10-12H2,(H2,18,22)(H,19,21)
InChIKeyVWSFQRNNFYDWSF-UHFFFAOYSA-N
MW301.39 g/mol
LogP1.19
Rot. Bonds6

About 1-[[3-[(prop-2-enoylamino)methyl]phenyl]methyl]piperidine-3-carboxamide

1-[[3-[(prop-2-enoylamino)methyl]phenyl]methyl]piperidine-3-carboxamide (PubChem CID 154865397) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is 1-[[3-[(prop-2-enoylamino)methyl]phenyl]methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[[3-[(prop-2-enoylamino)methyl]phenyl]methyl]piperidine-3-carboxamide
PubChem CID154865397
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC Name1-[[3-[(prop-2-enoylamino)methyl]phenyl]methyl]piperidine-3-carboxamide
SMILESC=CC(=O)NCc1cccc(CN2CCCC(C(N)=O)C2)c1
InChIInChI=1S/C17H23N3O2/c1-2-16(21)19-10-13-5-3-6-14(9-13)11-20-8-4-7-15(12-20)17(18)22/h2-3,5-6,9,15H,1,4,7-8,10-12H2,(H2,18,22)(H,19,21)
InChIKeyVWSFQRNNFYDWSF-UHFFFAOYSA-N
XLogP1.19
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 1-[[3-[(prop-2-enoylamino)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-[(prop-2-enoxycarbamoylamino)methyl]phenyl]methyl]piperidine-3-carboxamide
CID 166236592
1-[[3-[[[(2R)-2-aminopropanoyl]amino]methyl]phenyl]methyl]piperidine-3-carboxamide
CID 119877009
1-[[3-[[[2-(cyclopentanecarbonylamino)acetyl]amino]methyl]phenyl]methyl]piperidine-3-carboxamide
CID 86900740
1-[[3-[[[2-(cyclopropylmethylamino)acetyl]amino]methyl]phenyl]methyl]piperidine-3-carboxamide
CID 119877013
1-[[3-[[[(2R)-2-aminopropanoyl]amino]methyl]phenyl]methyl]piperidine-3-carboxamide;dihydrochloride
CID 119877008
1-[[3-[[(4-methylsulfanylphenyl)methylcarbamoylamino]methyl]phenyl]methyl]piperidine-3-carboxamide
CID 86900668
1-[[3-[(pyridin-3-ylmethylamino)methyl]phenyl]methyl]piperidine-3-carboxamide
CID 119125840
1-[[3-[[(N-cyclopropyl-N'-methylcarbamimidoyl)amino]methyl]phenyl]methyl]piperidine-3-carboxamide
CID 111109672
1-[[3-[[(4-ethylphenyl)methylamino]methyl]phenyl]methyl]piperidine-3-carboxamide
CID 119125867
1-[[3-[[[(2S,4S)-2-methylpiperidine-4-carbonyl]amino]methyl]phenyl]methyl]piperidine-3-carboxamide
CID 120636131
1-[[3-[[(N-cyclopentyl-N'-methylcarbamimidoyl)amino]methyl]phenyl]methyl]piperidine-3-carboxamide;hydroiodide
CID 111759508
1-[[3-[[(N,N'-dimethyl-N-pent-4-enylcarbamimidoyl)amino]methyl]phenyl]methyl]piperidine-3-carboxamide;hydroiodide
CID 109496229

Frequently Asked Questions

What is the IUPAC name of 1-[[3-[(prop-2-enoylamino)methyl]phenyl]methyl]piperidine-3-carboxamide?
The IUPAC name of 1-[[3-[(prop-2-enoylamino)methyl]phenyl]methyl]piperidine-3-carboxamide (CID 154865397) is 1-[[3-[(prop-2-enoylamino)methyl]phenyl]methyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-[[3-[(prop-2-enoylamino)methyl]phenyl]methyl]piperidine-3-carboxamide?
The canonical SMILES for 1-[[3-[(prop-2-enoylamino)methyl]phenyl]methyl]piperidine-3-carboxamide is C=CC(=O)NCc1cccc(CN2CCCC(C(N)=O)C2)c1.
What is the InChIKey of 1-[[3-[(prop-2-enoylamino)methyl]phenyl]methyl]piperidine-3-carboxamide?
The InChIKey is VWSFQRNNFYDWSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-2-16(21)19-10-13-5-3-6-14(9-13)11-20-8-4-7-15(12-20)17(18)22/h2-3,5-6,9,15H,1,4,7-8,10-12H2,(H2,18,22)(H,19,21).
What are the key properties of 1-[[3-[(prop-2-enoylamino)methyl]phenyl]methyl]piperidine-3-carboxamide?
1-[[3-[(prop-2-enoylamino)methyl]phenyl]methyl]piperidine-3-carboxamide has a molecular weight of 301.39 g/mol, XLogP of 1.19, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-[(prop-2-enoylamino)methyl]phenyl]methyl]piperidine-3-carboxamide is sourced from PubChem (CID 154865397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).