(3R)-1-butanoyl-N-[[(2R)-oxan-2-yl]methyl]-N-propylpiperidine-3-carboxamide

C19H34N2O3 — CID 95324158

IUPAC(3R)-1-butanoyl-N-[[(2R)-oxan-2-yl]methyl]-N-propylpiperidine-3-carboxamide
SMILESCCCC(=O)N1CCC[C@@H](C(=O)N(CCC)C[C@H]2CCCCO2)C1
InChIInChI=1S/C19H34N2O3/c1-3-8-18(22)20-12-7-9-16(14-20)19(23)21(11-4-2)15-17-10-5-6-13-24-17/h16-17H,3-15H2,1-2H3/t16-,17-/m1/s1
InChIKeyUWJQXPKMTHPDQN-IAGOWNOFSA-N
MW338.49 g/mol
LogP2.83
Rot. Bonds7

About (3R)-1-butanoyl-N-[[(2R)-oxan-2-yl]methyl]-N-propylpiperidine-3-carboxamide

(3R)-1-butanoyl-N-[[(2R)-oxan-2-yl]methyl]-N-propylpiperidine-3-carboxamide (PubChem CID 95324158) has the molecular formula C19H34N2O3 and a molecular weight of 338.49 g/mol. Its IUPAC name is (3R)-1-butanoyl-N-[[(2R)-oxan-2-yl]methyl]-N-propylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-butanoyl-N-[[(2R)-oxan-2-yl]methyl]-N-propylpiperidine-3-carboxamide
PubChem CID95324158
Molecular FormulaC19H34N2O3
Molecular Weight338.49 g/mol
Exact Mass338.26
IUPAC Name(3R)-1-butanoyl-N-[[(2R)-oxan-2-yl]methyl]-N-propylpiperidine-3-carboxamide
SMILESCCCC(=O)N1CCC[C@@H](C(=O)N(CCC)C[C@H]2CCCCO2)C1
InChIInChI=1S/C19H34N2O3/c1-3-8-18(22)20-12-7-9-16(14-20)19(23)21(11-4-2)15-17-10-5-6-13-24-17/h16-17H,3-15H2,1-2H3/t16-,17-/m1/s1
InChIKeyUWJQXPKMTHPDQN-IAGOWNOFSA-N
XLogP2.83
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.49
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (3R)-1-butanoyl-N-[[(2R)-oxan-2-yl]methyl]-N-propylpiperidine-3-carboxamide with MolForge

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Related Compounds

methyl (3S)-1-[3-(oxan-2-yl)propanoyl]piperidine-3-carboxylate
CID 78954860
3-[(1-butanoylpiperidine-3-carbonyl)-(2-methylpropyl)amino]propanoic acid
CID 119190750
2-[[1-(diethylcarbamoyl)piperidine-3-carbonyl]-propylamino]acetic acid
CID 75383592
2-[[1-(dimethylcarbamoyl)piperidine-3-carbonyl]-propylamino]acetic acid
CID 61013155
(3S)-1-[methyl(oxan-2-ylmethyl)carbamoyl]piperidine-3-carboxylic acid
CID 81126391
N-ethyl-N-(oxolan-2-ylmethyl)piperidine-1-carboxamide
CID 115590777
2-[(1-carbamoylpiperidine-3-carbonyl)-propylamino]acetic acid
CID 61007347
1-butanoyl-N-(3-hydroxybutyl)-N-methylpiperidine-3-carboxamide
CID 111695757
1-butanoyl-N-methyl-N-piperidin-4-ylpiperidine-3-carboxamide;hydrochloride
CID 119443592
N-[2-(azepan-1-yl)-2-oxoethyl]-N-(oxolan-2-ylmethyl)acetamide
CID 113160273
2-[[1-(2,2-dimethylpropanoyl)piperidine-3-carbonyl]-propylamino]acetic acid
CID 119205313
N-(3-aminopropyl)-N-benzyl-1-butanoylpiperidine-3-carboxamide;hydrochloride
CID 120648128

Frequently Asked Questions

What is the IUPAC name of (3R)-1-butanoyl-N-[[(2R)-oxan-2-yl]methyl]-N-propylpiperidine-3-carboxamide?
The IUPAC name of (3R)-1-butanoyl-N-[[(2R)-oxan-2-yl]methyl]-N-propylpiperidine-3-carboxamide (CID 95324158) is (3R)-1-butanoyl-N-[[(2R)-oxan-2-yl]methyl]-N-propylpiperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-butanoyl-N-[[(2R)-oxan-2-yl]methyl]-N-propylpiperidine-3-carboxamide?
The canonical SMILES for (3R)-1-butanoyl-N-[[(2R)-oxan-2-yl]methyl]-N-propylpiperidine-3-carboxamide is CCCC(=O)N1CCC[C@@H](C(=O)N(CCC)C[C@H]2CCCCO2)C1.
What is the InChIKey of (3R)-1-butanoyl-N-[[(2R)-oxan-2-yl]methyl]-N-propylpiperidine-3-carboxamide?
The InChIKey is UWJQXPKMTHPDQN-IAGOWNOFSA-N. The full InChI is InChI=1S/C19H34N2O3/c1-3-8-18(22)20-12-7-9-16(14-20)19(23)21(11-4-2)15-17-10-5-6-13-24-17/h16-17H,3-15H2,1-2H3/t16-,17-/m1/s1.
What are the key properties of (3R)-1-butanoyl-N-[[(2R)-oxan-2-yl]methyl]-N-propylpiperidine-3-carboxamide?
(3R)-1-butanoyl-N-[[(2R)-oxan-2-yl]methyl]-N-propylpiperidine-3-carboxamide has a molecular weight of 338.49 g/mol, XLogP of 2.83, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-butanoyl-N-[[(2R)-oxan-2-yl]methyl]-N-propylpiperidine-3-carboxamide is sourced from PubChem (CID 95324158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).