3-[[3-(methylcarbamoyl)piperidine-1-carbonyl]amino]cyclopentane-1-carboxylic acid

C14H23N3O4 — CID 103197211

IUPAC3-[[3-(methylcarbamoyl)piperidine-1-carbonyl]amino]cyclopentane-1-carboxylic acid
SMILESCNC(=O)C1CCCN(C(=O)NC2CCC(C(=O)O)C2)C1
InChIInChI=1S/C14H23N3O4/c1-15-12(18)10-3-2-6-17(8-10)14(21)16-11-5-4-9(7-11)13(19)20/h9-11H,2-8H2,1H3,(H,15,18)(H,16,21)(H,19,20)
InChIKeyBFIFZAKOPUWOKZ-UHFFFAOYSA-N
MW297.36 g/mol
LogP0.41
Rot. Bonds3

About 3-[[3-(methylcarbamoyl)piperidine-1-carbonyl]amino]cyclopentane-1-carboxylic acid

3-[[3-(methylcarbamoyl)piperidine-1-carbonyl]amino]cyclopentane-1-carboxylic acid (PubChem CID 103197211) has the molecular formula C14H23N3O4 and a molecular weight of 297.36 g/mol. Its IUPAC name is 3-[[3-(methylcarbamoyl)piperidine-1-carbonyl]amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name3-[[3-(methylcarbamoyl)piperidine-1-carbonyl]amino]cyclopentane-1-carboxylic acid
PubChem CID103197211
Molecular FormulaC14H23N3O4
Molecular Weight297.36 g/mol
Exact Mass297.17
IUPAC Name3-[[3-(methylcarbamoyl)piperidine-1-carbonyl]amino]cyclopentane-1-carboxylic acid
SMILESCNC(=O)C1CCCN(C(=O)NC2CCC(C(=O)O)C2)C1
InChIInChI=1S/C14H23N3O4/c1-15-12(18)10-3-2-6-17(8-10)14(21)16-11-5-4-9(7-11)13(19)20/h9-11H,2-8H2,1H3,(H,15,18)(H,16,21)(H,19,20)
InChIKeyBFIFZAKOPUWOKZ-UHFFFAOYSA-N
XLogP0.41
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 50.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-cyclobutyl-3-N-methylpiperidine-1,3-dicarboxamide
CID 113239797
3-[(3-methoxycarbonylpiperidine-1-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 115535206
cis-(1R,3S)-3-(azocane-1-carbonylamino)cyclopentane-1-carboxylic acid
CID 106324241
3-[3-(methylcarbamoyl)piperidine-1-carbonyl]cyclopentane-1-carboxylic acid
CID 103551311
1-[[(1S,3R)-3-(piperidine-1-carbonyl)cyclopentyl]carbamoyl]piperidine-3-carboxylic acid
CID 122013071
3-[(3-hydroxypiperidine-1-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 66033013
(3S)-1-[(3,5-dimethylcyclohexyl)carbamoyl]piperidine-3-carboxylic acid
CID 81126261
3-[(3-hydroxypiperidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 55147885
cis-(1R,3S)-3-[(2-methyl-1,4-oxazepane-4-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 114172994
1-[(2-methylcyclopropyl)carbamoyl]piperidine-3-carboxylic acid
CID 62409221
3-[[3-(methylaminomethyl)piperidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 63041940
cis-(1S,3R)-3-[(1-butanoylpiperidine-3-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 120675880

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(methylcarbamoyl)piperidine-1-carbonyl]amino]cyclopentane-1-carboxylic acid?
The IUPAC name of 3-[[3-(methylcarbamoyl)piperidine-1-carbonyl]amino]cyclopentane-1-carboxylic acid (CID 103197211) is 3-[[3-(methylcarbamoyl)piperidine-1-carbonyl]amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 3-[[3-(methylcarbamoyl)piperidine-1-carbonyl]amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 3-[[3-(methylcarbamoyl)piperidine-1-carbonyl]amino]cyclopentane-1-carboxylic acid is CNC(=O)C1CCCN(C(=O)NC2CCC(C(=O)O)C2)C1.
What is the InChIKey of 3-[[3-(methylcarbamoyl)piperidine-1-carbonyl]amino]cyclopentane-1-carboxylic acid?
The InChIKey is BFIFZAKOPUWOKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O4/c1-15-12(18)10-3-2-6-17(8-10)14(21)16-11-5-4-9(7-11)13(19)20/h9-11H,2-8H2,1H3,(H,15,18)(H,16,21)(H,19,20).
What are the key properties of 3-[[3-(methylcarbamoyl)piperidine-1-carbonyl]amino]cyclopentane-1-carboxylic acid?
3-[[3-(methylcarbamoyl)piperidine-1-carbonyl]amino]cyclopentane-1-carboxylic acid has a molecular weight of 297.36 g/mol, XLogP of 0.41, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(methylcarbamoyl)piperidine-1-carbonyl]amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 103197211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).