4-[(1,3-dimethylpiperidin-4-yl)carbamoylamino]cyclohexane-1-carboxylic acid

C15H27N3O3 — CID 114505373

IUPAC4-[(1,3-dimethylpiperidin-4-yl)carbamoylamino]cyclohexane-1-carboxylic acid
SMILESCC1CN(C)CCC1NC(=O)NC1CCC(C(=O)O)CC1
InChIInChI=1S/C15H27N3O3/c1-10-9-18(2)8-7-13(10)17-15(21)16-12-5-3-11(4-6-12)14(19)20/h10-13H,3-9H2,1-2H3,(H,19,20)(H2,16,17,21)
InChIKeyLVTPAIGQIZTJRL-UHFFFAOYSA-N
MW297.40 g/mol
LogP1.27
Rot. Bonds3

About 4-[(1,3-dimethylpiperidin-4-yl)carbamoylamino]cyclohexane-1-carboxylic acid

4-[(1,3-dimethylpiperidin-4-yl)carbamoylamino]cyclohexane-1-carboxylic acid (PubChem CID 114505373) has the molecular formula C15H27N3O3 and a molecular weight of 297.40 g/mol. Its IUPAC name is 4-[(1,3-dimethylpiperidin-4-yl)carbamoylamino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[(1,3-dimethylpiperidin-4-yl)carbamoylamino]cyclohexane-1-carboxylic acid
PubChem CID114505373
Molecular FormulaC15H27N3O3
Molecular Weight297.40 g/mol
Exact Mass297.21
IUPAC Name4-[(1,3-dimethylpiperidin-4-yl)carbamoylamino]cyclohexane-1-carboxylic acid
SMILESCC1CN(C)CCC1NC(=O)NC1CCC(C(=O)O)CC1
InChIInChI=1S/C15H27N3O3/c1-10-9-18(2)8-7-13(10)17-15(21)16-12-5-3-11(4-6-12)14(19)20/h10-13H,3-9H2,1-2H3,(H,19,20)(H2,16,17,21)
InChIKeyLVTPAIGQIZTJRL-UHFFFAOYSA-N
XLogP1.27
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 51.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2,4-dimethylcyclohexyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 63997378
3-[(1,3-dimethylpiperidin-4-yl)carbamoyl]cyclohexane-1-carboxylic acid
CID 114505769
1-cyclopropyl-3-(1,3-dimethylpiperidin-4-yl)thiourea
CID 115598623
1-[(1,3-dimethylpiperidin-4-yl)carbamoyl]piperidine-3-carboxylic acid
CID 114505369
N-(1,3-dimethylpiperidin-4-yl)pyrrolidine-1-carboxamide
CID 115598650
1-[2-[(1,3-dimethylpiperidin-4-yl)amino]acetyl]piperidine-4-carboxylic acid
CID 103268593
2-[(1,3-dimethylpiperidin-4-yl)carbamoylamino]-1-methylcyclopentane-1-carboxylic acid
CID 114505271
2-chloro-N-[(1,3-dimethylpiperidin-4-yl)carbamoyl]propanamide
CID 114505682
(2R)-1-[(1,3-dimethylpiperidin-4-yl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 104931163
5-[(1,3-dimethylpiperidin-4-yl)carbamoylamino]-3-methyl-5-oxopentanoic acid
CID 114504596
2-[(1-methylpiperidin-3-yl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 64817105
2-(tert-butylamino)-N-(1,3-dimethylpiperidin-4-yl)acetamide
CID 113228751

Frequently Asked Questions

What is the IUPAC name of 4-[(1,3-dimethylpiperidin-4-yl)carbamoylamino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[(1,3-dimethylpiperidin-4-yl)carbamoylamino]cyclohexane-1-carboxylic acid (CID 114505373) is 4-[(1,3-dimethylpiperidin-4-yl)carbamoylamino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[(1,3-dimethylpiperidin-4-yl)carbamoylamino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[(1,3-dimethylpiperidin-4-yl)carbamoylamino]cyclohexane-1-carboxylic acid is CC1CN(C)CCC1NC(=O)NC1CCC(C(=O)O)CC1.
What is the InChIKey of 4-[(1,3-dimethylpiperidin-4-yl)carbamoylamino]cyclohexane-1-carboxylic acid?
The InChIKey is LVTPAIGQIZTJRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O3/c1-10-9-18(2)8-7-13(10)17-15(21)16-12-5-3-11(4-6-12)14(19)20/h10-13H,3-9H2,1-2H3,(H,19,20)(H2,16,17,21).
What are the key properties of 4-[(1,3-dimethylpiperidin-4-yl)carbamoylamino]cyclohexane-1-carboxylic acid?
4-[(1,3-dimethylpiperidin-4-yl)carbamoylamino]cyclohexane-1-carboxylic acid has a molecular weight of 297.40 g/mol, XLogP of 1.27, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1,3-dimethylpiperidin-4-yl)carbamoylamino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 114505373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).