4-[(4-carbamoylpiperidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid

C14H23N3O4 — CID 61193762

IUPAC4-[(4-carbamoylpiperidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid
SMILESNC(=O)C1CCN(C(=O)NC2CCC(C(=O)O)CC2)CC1
InChIInChI=1S/C14H23N3O4/c15-12(18)9-5-7-17(8-6-9)14(21)16-11-3-1-10(2-4-11)13(19)20/h9-11H,1-8H2,(H2,15,18)(H,16,21)(H,19,20)
InChIKeySPMFOSOIFQEXKU-UHFFFAOYSA-N
MW297.36 g/mol
LogP0.54
Rot. Bonds3

About 4-[(4-carbamoylpiperidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid

4-[(4-carbamoylpiperidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid (PubChem CID 61193762) has the molecular formula C14H23N3O4 and a molecular weight of 297.36 g/mol. Its IUPAC name is 4-[(4-carbamoylpiperidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[(4-carbamoylpiperidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid
PubChem CID61193762
Molecular FormulaC14H23N3O4
Molecular Weight297.36 g/mol
Exact Mass297.17
IUPAC Name4-[(4-carbamoylpiperidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid
SMILESNC(=O)C1CCN(C(=O)NC2CCC(C(=O)O)CC2)CC1
InChIInChI=1S/C14H23N3O4/c15-12(18)9-5-7-17(8-6-9)14(21)16-11-3-1-10(2-4-11)13(19)20/h9-11H,1-8H2,(H2,15,18)(H,16,21)(H,19,20)
InChIKeySPMFOSOIFQEXKU-UHFFFAOYSA-N
XLogP0.54
TPSA112.73 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 ≤ 50.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-(piperazine-1-carbonylamino)cyclohexane-1-carboxylic acid
CID 19391498
1-(oxan-4-ylcarbamoyl)piperidine-4-carboxylic acid
CID 43610485
4-[(4-cyclopropylpiperazine-1-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 61443231
4-[(4-methylazepane-1-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 63626346
1-[[(1S,3R)-3-ethoxycarbonylcyclopentyl]carbamoyl]piperidine-4-carboxylic acid
CID 122013092
1-N-cyclopropylazetidine-1,3-dicarboxamide
CID 131048719
cis-(1R,3S)-3-(azocane-1-carbonylamino)cyclopentane-1-carboxylic acid
CID 106324241
3-[(4-methoxycarbonylpiperidine-1-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 66032207
1-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-ylcarbamoyl)piperidine-4-carboxylic acid
CID 122003861
1-[(4-tert-butylcycloheptyl)carbamoyl]piperidine-4-carboxylic acid
CID 122010992
4-[(1-acetylpiperidine-4-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 60807892
4-[[4-[butyl(methyl)carbamoyl]piperidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 122025052

Frequently Asked Questions

What is the IUPAC name of 4-[(4-carbamoylpiperidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[(4-carbamoylpiperidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid (CID 61193762) is 4-[(4-carbamoylpiperidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[(4-carbamoylpiperidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[(4-carbamoylpiperidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid is NC(=O)C1CCN(C(=O)NC2CCC(C(=O)O)CC2)CC1.
What is the InChIKey of 4-[(4-carbamoylpiperidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid?
The InChIKey is SPMFOSOIFQEXKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O4/c15-12(18)9-5-7-17(8-6-9)14(21)16-11-3-1-10(2-4-11)13(19)20/h9-11H,1-8H2,(H2,15,18)(H,16,21)(H,19,20).
What are the key properties of 4-[(4-carbamoylpiperidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid?
4-[(4-carbamoylpiperidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid has a molecular weight of 297.36 g/mol, XLogP of 0.54, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-carbamoylpiperidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 61193762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).