(3R)-1-[(2S)-2-(diethylamino)butanoyl]-N-propylpiperidine-3-carboxamide

C17H33N3O2 — CID 96504380

IUPAC(3R)-1-[(2S)-2-(diethylamino)butanoyl]-N-propylpiperidine-3-carboxamide
SMILESCCCNC(=O)[C@@H]1CCCN(C(=O)[C@H](CC)N(CC)CC)C1
InChIInChI=1S/C17H33N3O2/c1-5-11-18-16(21)14-10-9-12-20(13-14)17(22)15(6-2)19(7-3)8-4/h14-15H,5-13H2,1-4H3,(H,18,21)/t14-,15+/m1/s1
InChIKeyOYIXXHCZBVSCPD-CABCVRRESA-N
MW311.47 g/mol
LogP1.87
Rot. Bonds8

About (3R)-1-[(2S)-2-(diethylamino)butanoyl]-N-propylpiperidine-3-carboxamide

(3R)-1-[(2S)-2-(diethylamino)butanoyl]-N-propylpiperidine-3-carboxamide (PubChem CID 96504380) has the molecular formula C17H33N3O2 and a molecular weight of 311.47 g/mol. Its IUPAC name is (3R)-1-[(2S)-2-(diethylamino)butanoyl]-N-propylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-[(2S)-2-(diethylamino)butanoyl]-N-propylpiperidine-3-carboxamide
PubChem CID96504380
Molecular FormulaC17H33N3O2
Molecular Weight311.47 g/mol
Exact Mass311.26
IUPAC Name(3R)-1-[(2S)-2-(diethylamino)butanoyl]-N-propylpiperidine-3-carboxamide
SMILESCCCNC(=O)[C@@H]1CCCN(C(=O)[C@H](CC)N(CC)CC)C1
InChIInChI=1S/C17H33N3O2/c1-5-11-18-16(21)14-10-9-12-20(13-14)17(22)15(6-2)19(7-3)8-4/h14-15H,5-13H2,1-4H3,(H,18,21)/t14-,15+/m1/s1
InChIKeyOYIXXHCZBVSCPD-CABCVRRESA-N
XLogP1.87
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.47
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3R)-1-[(2S)-2-(diethylamino)butanoyl]-N-propylpiperidine-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-(2,2-dimethylpropanoyl)-N-propylpiperidine-3-carboxamide
CID 47986666
(3R)-N-ethyl-1-[(2R)-2-methylpentanoyl]piperidine-3-carboxamide
CID 95318260
N-[2-[[(2R)-2-(diethylamino)butanoyl]amino]ethyl]cyclopentanecarboxamide
CID 96504389
1-(3-aminopropanoyl)-N-propylpiperidine-3-carboxamide;hydrochloride
CID 119311754
N-ethyl-1-(2-methylpropanoyl)piperidine-3-carboxamide
CID 60753425
N-(3-hydroxy-4-methylpentyl)-1-(2-methylbutanoyl)piperidine-3-carboxamide
CID 111460809
1-(2-hydroxycyclopentanecarbonyl)-N-propylpiperidine-3-carboxamide
CID 110014381
N-propylcyclooctanecarboxamide
CID 65022755
1-(3-aminocyclopentanecarbonyl)-N-propylpiperidine-3-carboxamide;hydrochloride
CID 119763367
2-[2-[[1-(2-methylbutanoyl)piperidine-3-carbonyl]amino]ethylsulfanyl]acetic acid
CID 119242528
methyl 3-(butylcarbamoyl)piperidine-1-carboxylate
CID 110754259
1-(3-amino-2-methyl-3-oxopropanoyl)-N-(2-hydroxyethyl)piperidine-3-carboxamide
CID 173078011

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[(2S)-2-(diethylamino)butanoyl]-N-propylpiperidine-3-carboxamide?
The IUPAC name of (3R)-1-[(2S)-2-(diethylamino)butanoyl]-N-propylpiperidine-3-carboxamide (CID 96504380) is (3R)-1-[(2S)-2-(diethylamino)butanoyl]-N-propylpiperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-[(2S)-2-(diethylamino)butanoyl]-N-propylpiperidine-3-carboxamide?
The canonical SMILES for (3R)-1-[(2S)-2-(diethylamino)butanoyl]-N-propylpiperidine-3-carboxamide is CCCNC(=O)[C@@H]1CCCN(C(=O)[C@H](CC)N(CC)CC)C1.
What is the InChIKey of (3R)-1-[(2S)-2-(diethylamino)butanoyl]-N-propylpiperidine-3-carboxamide?
The InChIKey is OYIXXHCZBVSCPD-CABCVRRESA-N. The full InChI is InChI=1S/C17H33N3O2/c1-5-11-18-16(21)14-10-9-12-20(13-14)17(22)15(6-2)19(7-3)8-4/h14-15H,5-13H2,1-4H3,(H,18,21)/t14-,15+/m1/s1.
What are the key properties of (3R)-1-[(2S)-2-(diethylamino)butanoyl]-N-propylpiperidine-3-carboxamide?
(3R)-1-[(2S)-2-(diethylamino)butanoyl]-N-propylpiperidine-3-carboxamide has a molecular weight of 311.47 g/mol, XLogP of 1.87, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[(2S)-2-(diethylamino)butanoyl]-N-propylpiperidine-3-carboxamide is sourced from PubChem (CID 96504380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).