(6-oxopiperidin-3-yl)carbamic acid

C6H10N2O3 — CID 77299994

IUPAC(6-oxopiperidin-3-yl)carbamic acid
SMILESO=C(O)NC1CCC(=O)NC1
InChIInChI=1S/C6H10N2O3/c9-5-2-1-4(3-7-5)8-6(10)11/h4,8H,1-3H2,(H,7,9)(H,10,11)
InChIKeyRJXAXWUHGHCKQK-UHFFFAOYSA-N
MW158.16 g/mol
LogP-0.47
Rot. Bonds1

About (6-oxopiperidin-3-yl)carbamic acid

(6-oxopiperidin-3-yl)carbamic acid (PubChem CID 77299994) has the molecular formula C6H10N2O3 and a molecular weight of 158.16 g/mol. Its IUPAC name is (6-oxopiperidin-3-yl)carbamic acid.

Molecular Properties

Compound Name(6-oxopiperidin-3-yl)carbamic acid
PubChem CID77299994
Molecular FormulaC6H10N2O3
Molecular Weight158.16 g/mol
Exact Mass158.07
IUPAC Name(6-oxopiperidin-3-yl)carbamic acid
SMILESO=C(O)NC1CCC(=O)NC1
InChIInChI=1S/C6H10N2O3/c9-5-2-1-4(3-7-5)8-6(10)11/h4,8H,1-3H2,(H,7,9)(H,10,11)
InChIKeyRJXAXWUHGHCKQK-UHFFFAOYSA-N
XLogP-0.47
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.16
LogP ≤ 5-0.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1,1-dimethyl-3-(6-oxopiperidin-3-yl)urea
CID 78916658
2,2,2-trifluoro-N-(6-oxopiperidin-3-yl)acetamide
CID 63374613
3,6-dimethyl-2-[(6-oxopiperidin-3-yl)carbamoyl]benzoic acid
CID 103429074
3-chloro-N-(6-oxopiperidin-3-yl)propanamide
CID 63662078
2-(methylamino)-N-(6-oxopiperidin-3-yl)propanamide
CID 63663000
N-(6-oxopiperidin-3-yl)pyrrolidine-3-carboxamide
CID 63663368
2,2-dimethyl-3-[(6-oxopiperidin-3-yl)carbamoyl]cyclopropane-1-carboxylic acid
CID 64836966
3-[(6-oxopiperidin-3-yl)carbamoyl]benzoic acid
CID 63662325
2-hydroxy-N-(6-oxopiperidin-3-yl)-2,2-diphenylacetamide
CID 111102359
2-methyl-N-[(3R)-6-oxopiperidin-3-yl]benzamide
CID 70955192
N-(6-oxopiperidin-3-yl)adamantane-2-carboxamide
CID 78990985
1-methyl-N-(6-oxopiperidin-3-yl)cyclopentane-1-carboxamide
CID 78953464

Frequently Asked Questions

What is the IUPAC name of (6-oxopiperidin-3-yl)carbamic acid?
The IUPAC name of (6-oxopiperidin-3-yl)carbamic acid (CID 77299994) is (6-oxopiperidin-3-yl)carbamic acid.
What is the SMILES notation for (6-oxopiperidin-3-yl)carbamic acid?
The canonical SMILES for (6-oxopiperidin-3-yl)carbamic acid is O=C(O)NC1CCC(=O)NC1.
What is the InChIKey of (6-oxopiperidin-3-yl)carbamic acid?
The InChIKey is RJXAXWUHGHCKQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O3/c9-5-2-1-4(3-7-5)8-6(10)11/h4,8H,1-3H2,(H,7,9)(H,10,11).
What are the key properties of (6-oxopiperidin-3-yl)carbamic acid?
(6-oxopiperidin-3-yl)carbamic acid has a molecular weight of 158.16 g/mol, XLogP of -0.47, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6-oxopiperidin-3-yl)carbamic acid is sourced from PubChem (CID 77299994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).