1-(cyclopropylmethyl)-6-oxopiperidine-3-carboxylic acid

C10H15NO3 — CID 62303211

IUPAC1-(cyclopropylmethyl)-6-oxopiperidine-3-carboxylic acid
SMILESO=C(O)C1CCC(=O)N(CC2CC2)C1
InChIInChI=1S/C10H15NO3/c12-9-4-3-8(10(13)14)6-11(9)5-7-1-2-7/h7-8H,1-6H2,(H,13,14)
InChIKeyQDYUOCYBJOYXSQ-UHFFFAOYSA-N
MW197.23 g/mol
LogP0.72
Rot. Bonds3

About 1-(cyclopropylmethyl)-6-oxopiperidine-3-carboxylic acid

1-(cyclopropylmethyl)-6-oxopiperidine-3-carboxylic acid (PubChem CID 62303211) has the molecular formula C10H15NO3 and a molecular weight of 197.23 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-6-oxopiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-6-oxopiperidine-3-carboxylic acid
PubChem CID62303211
Molecular FormulaC10H15NO3
Molecular Weight197.23 g/mol
Exact Mass197.11
IUPAC Name1-(cyclopropylmethyl)-6-oxopiperidine-3-carboxylic acid
SMILESO=C(O)C1CCC(=O)N(CC2CC2)C1
InChIInChI=1S/C10H15NO3/c12-9-4-3-8(10(13)14)6-11(9)5-7-1-2-7/h7-8H,1-6H2,(H,13,14)
InChIKeyQDYUOCYBJOYXSQ-UHFFFAOYSA-N
XLogP0.72
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(3,3-difluorocyclopentyl)methyl]-6-oxopiperidine-3-carboxylic acid
CID 114224210
6-oxo-1-pentylpiperidine-3-carboxylic acid
CID 62230465
5-oxo-1-[[4-(trifluoromethyl)cyclohexyl]methyl]pyrrolidine-3-carboxylic acid
CID 168691313
1-[2-(azepan-1-yl)-2-oxoethyl]-6-oxopiperidine-3-carboxylic acid
CID 62230805
1-(4-amino-4-oxobutyl)-6-oxopiperidine-3-carboxylic acid
CID 62301232
6-oxo-1-tetradecylpiperidine-3-carboxylic acid
CID 123215271
1-(2,3-dichloroprop-2-enyl)-6-oxopiperidine-3-carboxylic acid
CID 79173164
(5R)-1-(cyclohexylmethyl)-5-[4-(pyrrolidine-1-carbonyl)piperidine-1-carbonyl]piperidin-2-one
CID 25447256
N-cyclohexyl-1-(cyclohexylmethyl)-N-methyl-6-oxopiperidine-3-carboxamide
CID 45192231
(3R)-N-cyclohexyl-1-(cyclohexylmethyl)-N-methyl-6-oxopiperidine-3-carboxamide
CID 42593721
1-[2-[ethyl(methyl)amino]ethyl]-6-oxopiperidine-3-carboxylic acid
CID 62639907
1-[(4-methylphenyl)methyl]-6-oxopiperidine-3-carboxylic acid
CID 55049168

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-6-oxopiperidine-3-carboxylic acid?
The IUPAC name of 1-(cyclopropylmethyl)-6-oxopiperidine-3-carboxylic acid (CID 62303211) is 1-(cyclopropylmethyl)-6-oxopiperidine-3-carboxylic acid.
What is the SMILES notation for 1-(cyclopropylmethyl)-6-oxopiperidine-3-carboxylic acid?
The canonical SMILES for 1-(cyclopropylmethyl)-6-oxopiperidine-3-carboxylic acid is O=C(O)C1CCC(=O)N(CC2CC2)C1.
What is the InChIKey of 1-(cyclopropylmethyl)-6-oxopiperidine-3-carboxylic acid?
The InChIKey is QDYUOCYBJOYXSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO3/c12-9-4-3-8(10(13)14)6-11(9)5-7-1-2-7/h7-8H,1-6H2,(H,13,14).
What are the key properties of 1-(cyclopropylmethyl)-6-oxopiperidine-3-carboxylic acid?
1-(cyclopropylmethyl)-6-oxopiperidine-3-carboxylic acid has a molecular weight of 197.23 g/mol, XLogP of 0.72, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-6-oxopiperidine-3-carboxylic acid is sourced from PubChem (CID 62303211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).