3-(3-amino-3-oxopropyl)-N-[3-(propan-2-yloxymethyl)phenyl]piperidine-1-carboxamide

C19H29N3O3 — CID 56826999

IUPAC3-(3-amino-3-oxopropyl)-N-[3-(propan-2-yloxymethyl)phenyl]piperidine-1-carboxamide
SMILESCC(C)OCc1cccc(NC(=O)N2CCCC(CCC(N)=O)C2)c1
InChIInChI=1S/C19H29N3O3/c1-14(2)25-13-16-5-3-7-17(11-16)21-19(24)22-10-4-6-15(12-22)8-9-18(20)23/h3,5,7,11,14-15H,4,6,8-10,12-13H2,1-2H3,(H2,20,23)(H,21,24)
InChIKeyISFQOKFTTANYEA-UHFFFAOYSA-N
MW347.46 g/mol
LogP3.12
Rot. Bonds7

About 3-(3-amino-3-oxopropyl)-N-[3-(propan-2-yloxymethyl)phenyl]piperidine-1-carboxamide

3-(3-amino-3-oxopropyl)-N-[3-(propan-2-yloxymethyl)phenyl]piperidine-1-carboxamide (PubChem CID 56826999) has the molecular formula C19H29N3O3 and a molecular weight of 347.46 g/mol. Its IUPAC name is 3-(3-amino-3-oxopropyl)-N-[3-(propan-2-yloxymethyl)phenyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name3-(3-amino-3-oxopropyl)-N-[3-(propan-2-yloxymethyl)phenyl]piperidine-1-carboxamide
PubChem CID56826999
Molecular FormulaC19H29N3O3
Molecular Weight347.46 g/mol
Exact Mass347.22
IUPAC Name3-(3-amino-3-oxopropyl)-N-[3-(propan-2-yloxymethyl)phenyl]piperidine-1-carboxamide
SMILESCC(C)OCc1cccc(NC(=O)N2CCCC(CCC(N)=O)C2)c1
InChIInChI=1S/C19H29N3O3/c1-14(2)25-13-16-5-3-7-17(11-16)21-19(24)22-10-4-6-15(12-22)8-9-18(20)23/h3,5,7,11,14-15H,4,6,8-10,12-13H2,1-2H3,(H2,20,23)(H,21,24)
InChIKeyISFQOKFTTANYEA-UHFFFAOYSA-N
XLogP3.12
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-(3-amino-3-oxopropyl)-N-[3-(propan-2-yloxymethyl)phenyl]piperidine-1-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

N-[3-(propan-2-yloxymethyl)phenyl]-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carboxamide
CID 56826998
2,2-dimethyl-1-oxo-N-[3-(propan-2-yloxymethyl)phenyl]-1,4-thiazinane-4-carboxamide
CID 71916967
3-hydroxy-N-[3-(methoxymethyl)phenyl]piperidine-1-carboxamide
CID 51080395
(9aS)-N-[3-(propan-2-yloxymethyl)phenyl]-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine-8-carboxamide
CID 124888522
2-[3-[(3-ethylpiperidine-1-carbonyl)amino]phenyl]acetic acid
CID 65345636
(3R)-N-(3-methylphenyl)-3-[3-oxo-3-[[(1S)-1-phenylethyl]amino]propyl]piperidine-1-carboxamide
CID 95093939
3-amino-N-[3-(propan-2-yloxymethyl)phenyl]propanamide
CID 119306277
(3R)-3-[(butanoylamino)methyl]-N-(3-ethylphenyl)piperidine-1-carboxamide
CID 95297467
(3S)-N-(3-fluorophenyl)-3-[3-oxo-3-[[(1R)-1-phenylethyl]amino]propyl]piperidine-1-carboxamide
CID 95094000
(3R)-3-[3-(benzylamino)-3-oxopropyl]-N-phenylpiperidine-1-carboxamide
CID 95094068
3-(hydroxymethyl)-N-[3-(1-methoxyethyl)phenyl]piperidine-1-carboxamide
CID 110923971
(2R)-N-[3-(propan-2-yloxymethyl)phenyl]-2-pyridin-4-ylazepane-1-carboxamide
CID 95235839

Frequently Asked Questions

What is the IUPAC name of 3-(3-amino-3-oxopropyl)-N-[3-(propan-2-yloxymethyl)phenyl]piperidine-1-carboxamide?
The IUPAC name of 3-(3-amino-3-oxopropyl)-N-[3-(propan-2-yloxymethyl)phenyl]piperidine-1-carboxamide (CID 56826999) is 3-(3-amino-3-oxopropyl)-N-[3-(propan-2-yloxymethyl)phenyl]piperidine-1-carboxamide.
What is the SMILES notation for 3-(3-amino-3-oxopropyl)-N-[3-(propan-2-yloxymethyl)phenyl]piperidine-1-carboxamide?
The canonical SMILES for 3-(3-amino-3-oxopropyl)-N-[3-(propan-2-yloxymethyl)phenyl]piperidine-1-carboxamide is CC(C)OCc1cccc(NC(=O)N2CCCC(CCC(N)=O)C2)c1.
What is the InChIKey of 3-(3-amino-3-oxopropyl)-N-[3-(propan-2-yloxymethyl)phenyl]piperidine-1-carboxamide?
The InChIKey is ISFQOKFTTANYEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O3/c1-14(2)25-13-16-5-3-7-17(11-16)21-19(24)22-10-4-6-15(12-22)8-9-18(20)23/h3,5,7,11,14-15H,4,6,8-10,12-13H2,1-2H3,(H2,20,23)(H,21,24).
What are the key properties of 3-(3-amino-3-oxopropyl)-N-[3-(propan-2-yloxymethyl)phenyl]piperidine-1-carboxamide?
3-(3-amino-3-oxopropyl)-N-[3-(propan-2-yloxymethyl)phenyl]piperidine-1-carboxamide has a molecular weight of 347.46 g/mol, XLogP of 3.12, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-amino-3-oxopropyl)-N-[3-(propan-2-yloxymethyl)phenyl]piperidine-1-carboxamide is sourced from PubChem (CID 56826999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).