3-amino-N-[[1-[(4-hydroxy-3-methoxy-5-prop-2-enylphenyl)methyl]piperidin-2-yl]methyl]propanamide

C20H31N3O3 — CID 120911120

IUPAC3-amino-N-[[1-[(4-hydroxy-3-methoxy-5-prop-2-enylphenyl)methyl]piperidin-2-yl]methyl]propanamide
SMILESC=CCc1cc(CN2CCCCC2CNC(=O)CCN)cc(OC)c1O
InChIInChI=1S/C20H31N3O3/c1-3-6-16-11-15(12-18(26-2)20(16)25)14-23-10-5-4-7-17(23)13-22-19(24)8-9-21/h3,11-12,17,25H,1,4-10,13-14,21H2,2H3,(H,22,24)
InChIKeyTXUPCKSCDHZHEX-UHFFFAOYSA-N
MW361.49 g/mol
LogP1.95
Rot. Bonds9

About 3-amino-N-[[1-[(4-hydroxy-3-methoxy-5-prop-2-enylphenyl)methyl]piperidin-2-yl]methyl]propanamide

3-amino-N-[[1-[(4-hydroxy-3-methoxy-5-prop-2-enylphenyl)methyl]piperidin-2-yl]methyl]propanamide (PubChem CID 120911120) has the molecular formula C20H31N3O3 and a molecular weight of 361.49 g/mol. Its IUPAC name is 3-amino-N-[[1-[(4-hydroxy-3-methoxy-5-prop-2-enylphenyl)methyl]piperidin-2-yl]methyl]propanamide.

Molecular Properties

Compound Name3-amino-N-[[1-[(4-hydroxy-3-methoxy-5-prop-2-enylphenyl)methyl]piperidin-2-yl]methyl]propanamide
PubChem CID120911120
Molecular FormulaC20H31N3O3
Molecular Weight361.49 g/mol
Exact Mass361.24
IUPAC Name3-amino-N-[[1-[(4-hydroxy-3-methoxy-5-prop-2-enylphenyl)methyl]piperidin-2-yl]methyl]propanamide
SMILESC=CCc1cc(CN2CCCCC2CNC(=O)CCN)cc(OC)c1O
InChIInChI=1S/C20H31N3O3/c1-3-6-16-11-15(12-18(26-2)20(16)25)14-23-10-5-4-7-17(23)13-22-19(24)8-9-21/h3,11-12,17,25H,1,4-10,13-14,21H2,2H3,(H,22,24)
InChIKeyTXUPCKSCDHZHEX-UHFFFAOYSA-N
XLogP1.95
TPSA87.82 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 51.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-amino-N-[[1-[(4-hydroxy-3-methoxy-5-prop-2-enylphenyl)methyl]piperidin-2-yl]methyl]propanamide 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

3-amino-N-[[1-[(3,5-dimethylphenyl)methyl]piperidin-2-yl]methyl]propanamide
CID 120581429
3-amino-N-[[1-[(5-bromo-2-methoxyphenyl)methyl]piperidin-2-yl]methyl]propanamide
CID 120581253
3-amino-N-[[1-[(2,4-dimethoxyphenyl)methyl]piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120911553
3-amino-N-[[1-[(3-hydroxy-2-methoxyphenyl)methyl]piperidin-2-yl]methyl]propanamide
CID 120911276
3-amino-N-[[1-[(4-methoxy-3-nitrophenyl)methyl]piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120581326
methyl 4-[[2-[(3-aminopropanoylamino)methyl]piperidin-1-yl]methyl]-1H-pyrrole-2-carboxylate
CID 120911626
3-amino-N-[[1-(naphthalen-2-ylmethyl)piperidin-2-yl]methyl]propanamide
CID 120581409
3-amino-N-[[1-[(3-ethoxyphenyl)methyl]piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120911453
3-amino-N-[[1-[(2,5-difluorophenyl)methyl]piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120581300
3-amino-N-[[1-[(3-propoxyphenyl)methyl]piperidin-2-yl]methyl]propanamide
CID 120910974
3-amino-N-[[1-(thiophen-3-ylmethyl)piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120910961
3-amino-N-[(3,4-dimethoxy-5-prop-2-enylphenyl)methyl]propanamide;hydrochloride
CID 119311803

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[[1-[(4-hydroxy-3-methoxy-5-prop-2-enylphenyl)methyl]piperidin-2-yl]methyl]propanamide?
The IUPAC name of 3-amino-N-[[1-[(4-hydroxy-3-methoxy-5-prop-2-enylphenyl)methyl]piperidin-2-yl]methyl]propanamide (CID 120911120) is 3-amino-N-[[1-[(4-hydroxy-3-methoxy-5-prop-2-enylphenyl)methyl]piperidin-2-yl]methyl]propanamide.
What is the SMILES notation for 3-amino-N-[[1-[(4-hydroxy-3-methoxy-5-prop-2-enylphenyl)methyl]piperidin-2-yl]methyl]propanamide?
The canonical SMILES for 3-amino-N-[[1-[(4-hydroxy-3-methoxy-5-prop-2-enylphenyl)methyl]piperidin-2-yl]methyl]propanamide is C=CCc1cc(CN2CCCCC2CNC(=O)CCN)cc(OC)c1O.
What is the InChIKey of 3-amino-N-[[1-[(4-hydroxy-3-methoxy-5-prop-2-enylphenyl)methyl]piperidin-2-yl]methyl]propanamide?
The InChIKey is TXUPCKSCDHZHEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O3/c1-3-6-16-11-15(12-18(26-2)20(16)25)14-23-10-5-4-7-17(23)13-22-19(24)8-9-21/h3,11-12,17,25H,1,4-10,13-14,21H2,2H3,(H,22,24).
What are the key properties of 3-amino-N-[[1-[(4-hydroxy-3-methoxy-5-prop-2-enylphenyl)methyl]piperidin-2-yl]methyl]propanamide?
3-amino-N-[[1-[(4-hydroxy-3-methoxy-5-prop-2-enylphenyl)methyl]piperidin-2-yl]methyl]propanamide has a molecular weight of 361.49 g/mol, XLogP of 1.95, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[[1-[(4-hydroxy-3-methoxy-5-prop-2-enylphenyl)methyl]piperidin-2-yl]methyl]propanamide is sourced from PubChem (CID 120911120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).