1-[(4S)-2-oxo-1,3-oxazolidine-4-carbonyl]-N-propylpiperidine-4-carboxamide

C13H21N3O4 — CID 164633323

IUPAC1-[(4S)-2-oxo-1,3-oxazolidine-4-carbonyl]-N-propylpiperidine-4-carboxamide
SMILESCCCNC(=O)C1CCN(C(=O)[C@@H]2COC(=O)N2)CC1
InChIInChI=1S/C13H21N3O4/c1-2-5-14-11(17)9-3-6-16(7-4-9)12(18)10-8-20-13(19)15-10/h9-10H,2-8H2,1H3,(H,14,17)(H,15,19)/t10-/m0/s1
InChIKeyUEOKYUSIYQYQKM-JTQLQIEISA-N
MW283.33 g/mol
LogP-0.14
Rot. Bonds4

About 1-[(4S)-2-oxo-1,3-oxazolidine-4-carbonyl]-N-propylpiperidine-4-carboxamide

1-[(4S)-2-oxo-1,3-oxazolidine-4-carbonyl]-N-propylpiperidine-4-carboxamide (PubChem CID 164633323) has the molecular formula C13H21N3O4 and a molecular weight of 283.33 g/mol. Its IUPAC name is 1-[(4S)-2-oxo-1,3-oxazolidine-4-carbonyl]-N-propylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(4S)-2-oxo-1,3-oxazolidine-4-carbonyl]-N-propylpiperidine-4-carboxamide
PubChem CID164633323
Molecular FormulaC13H21N3O4
Molecular Weight283.33 g/mol
Exact Mass283.15
IUPAC Name1-[(4S)-2-oxo-1,3-oxazolidine-4-carbonyl]-N-propylpiperidine-4-carboxamide
SMILESCCCNC(=O)C1CCN(C(=O)[C@@H]2COC(=O)N2)CC1
InChIInChI=1S/C13H21N3O4/c1-2-5-14-11(17)9-3-6-16(7-4-9)12(18)10-8-20-13(19)15-10/h9-10H,2-8H2,1H3,(H,14,17)(H,15,19)/t10-/m0/s1
InChIKeyUEOKYUSIYQYQKM-JTQLQIEISA-N
XLogP-0.14
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 5-0.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[1-[1-[2-(2,6-dimethylmorpholin-4-yl)-3-methylbutanoyl]pyrrolidin-3-yl]ethyl]carbamate
CID 75449078
(4S)-N-(cyclohexylmethyl)-N-methyl-2-oxo-1,3-oxazolidine-4-carboxamide
CID 124877387
(4S)-4-(4-hydroxy-4-propylpiperidine-1-carbonyl)-1,3-oxazolidin-2-one
CID 164635133
(4S)-4-[(3R,4S)-3-fluoro-4-methoxypiperidine-1-carbonyl]-1,3-oxazolidin-2-one
CID 121265392
(4S)-4-[(3R,4S)-4-ethoxy-3-fluoropiperidine-1-carbonyl]-1,3-oxazolidin-2-one
CID 135291697
(4S)-4-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidine-1-carbonyl]-1,3-oxazolidin-2-one
CID 135291715
2-oxo-N-[[1-[1-(trifluoromethyl)cyclopropanecarbonyl]piperidin-4-yl]methyl]-1,3-oxazolidine-4-carboxamide
CID 154876580
(4S)-4-(piperidine-1-carbonyl)-1,3-oxazolidin-2-one
CID 25054431
methyl N-[(2S)-3-methyl-1-oxo-1-[(3S)-3-(propan-2-ylcarbamoyloxy)pyrrolidin-1-yl]butan-2-yl]carbamate
CID 58185264
tert-butyl N-[(3S)-1-[(2S)-3-(aminomethoxy)-1-morpholin-4-yl-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]carbamate
CID 58677238
methyl N-[(3S)-1-[(2S)-3-methoxy-1-morpholin-4-yl-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]carbamate
CID 58677259
ethyl N-[4-oxo-4-[2-oxo-3-(2-oxopropyl)-1-oxa-3,8-diazaspiro[4.5]decan-8-yl]butyl]carbamate
CID 59096689

Frequently Asked Questions

What is the IUPAC name of 1-[(4S)-2-oxo-1,3-oxazolidine-4-carbonyl]-N-propylpiperidine-4-carboxamide?
The IUPAC name of 1-[(4S)-2-oxo-1,3-oxazolidine-4-carbonyl]-N-propylpiperidine-4-carboxamide (CID 164633323) is 1-[(4S)-2-oxo-1,3-oxazolidine-4-carbonyl]-N-propylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[(4S)-2-oxo-1,3-oxazolidine-4-carbonyl]-N-propylpiperidine-4-carboxamide?
The canonical SMILES for 1-[(4S)-2-oxo-1,3-oxazolidine-4-carbonyl]-N-propylpiperidine-4-carboxamide is CCCNC(=O)C1CCN(C(=O)[C@@H]2COC(=O)N2)CC1.
What is the InChIKey of 1-[(4S)-2-oxo-1,3-oxazolidine-4-carbonyl]-N-propylpiperidine-4-carboxamide?
The InChIKey is UEOKYUSIYQYQKM-JTQLQIEISA-N. The full InChI is InChI=1S/C13H21N3O4/c1-2-5-14-11(17)9-3-6-16(7-4-9)12(18)10-8-20-13(19)15-10/h9-10H,2-8H2,1H3,(H,14,17)(H,15,19)/t10-/m0/s1.
What are the key properties of 1-[(4S)-2-oxo-1,3-oxazolidine-4-carbonyl]-N-propylpiperidine-4-carboxamide?
1-[(4S)-2-oxo-1,3-oxazolidine-4-carbonyl]-N-propylpiperidine-4-carboxamide has a molecular weight of 283.33 g/mol, XLogP of -0.14, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4S)-2-oxo-1,3-oxazolidine-4-carbonyl]-N-propylpiperidine-4-carboxamide is sourced from PubChem (CID 164633323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).