2-[1-[(3,4-dimethylcyclohexyl)carbamoyl]piperidin-3-yl]acetic acid

C16H28N2O3 — CID 64742546

IUPAC2-[1-[(3,4-dimethylcyclohexyl)carbamoyl]piperidin-3-yl]acetic acid
SMILESCC1CCC(NC(=O)N2CCCC(CC(=O)O)C2)CC1C
InChIInChI=1S/C16H28N2O3/c1-11-5-6-14(8-12(11)2)17-16(21)18-7-3-4-13(10-18)9-15(19)20/h11-14H,3-10H2,1-2H3,(H,17,21)(H,19,20)
InChIKeyYFRCVNORCWMPDH-UHFFFAOYSA-N
MW296.41 g/mol
LogP2.71
Rot. Bonds3

About 2-[1-[(3,4-dimethylcyclohexyl)carbamoyl]piperidin-3-yl]acetic acid

2-[1-[(3,4-dimethylcyclohexyl)carbamoyl]piperidin-3-yl]acetic acid (PubChem CID 64742546) has the molecular formula C16H28N2O3 and a molecular weight of 296.41 g/mol. Its IUPAC name is 2-[1-[(3,4-dimethylcyclohexyl)carbamoyl]piperidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[(3,4-dimethylcyclohexyl)carbamoyl]piperidin-3-yl]acetic acid
PubChem CID64742546
Molecular FormulaC16H28N2O3
Molecular Weight296.41 g/mol
Exact Mass296.21
IUPAC Name2-[1-[(3,4-dimethylcyclohexyl)carbamoyl]piperidin-3-yl]acetic acid
SMILESCC1CCC(NC(=O)N2CCCC(CC(=O)O)C2)CC1C
InChIInChI=1S/C16H28N2O3/c1-11-5-6-14(8-12(11)2)17-16(21)18-7-3-4-13(10-18)9-15(19)20/h11-14H,3-10H2,1-2H3,(H,17,21)(H,19,20)
InChIKeyYFRCVNORCWMPDH-UHFFFAOYSA-N
XLogP2.71
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-[1-[(3,4-dimethylcyclohexyl)carbamoyl]piperidin-3-yl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[1-[(3-methylcyclobutyl)carbamoyl]piperidin-3-yl]acetic acid
CID 113467402
2-[1-(cyclohexylcarbamoyl)piperidin-3-yl]acetic acid
CID 62690079
3-(hydroxymethyl)-N-(4-methylcyclohexyl)piperidine-1-carboxamide
CID 110894815
2-[1-[(4-methylcyclohexyl)methylcarbamoyl]piperidin-3-yl]acetic acid
CID 63244628
3-[1-[(2-methylcyclopropyl)carbamoyl]piperidin-3-yl]propanoic acid
CID 55071819
3-[[3-(methylaminomethyl)piperidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 63041940
2-[[1-[(3,4-dimethylcyclohexyl)carbamoyl]piperidin-4-yl]-ethylamino]acetic acid
CID 122009847
4-(cyclopropanecarbonyl)-N-(3,4-dimethylcyclohexyl)-1,4-diazepane-1-carboxamide
CID 86803052
2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]acetic acid
CID 4115028
2-[1-(1-cyclopropylethylcarbamoyl)piperidin-3-yl]acetic acid
CID 62691352
2-[1-(pentan-2-ylcarbamoyl)piperidin-3-yl]acetic acid
CID 62690824
(3R)-N-cyclooctyl-3-(hydroxymethyl)piperidine-1-carboxamide
CID 95577956

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(3,4-dimethylcyclohexyl)carbamoyl]piperidin-3-yl]acetic acid?
The IUPAC name of 2-[1-[(3,4-dimethylcyclohexyl)carbamoyl]piperidin-3-yl]acetic acid (CID 64742546) is 2-[1-[(3,4-dimethylcyclohexyl)carbamoyl]piperidin-3-yl]acetic acid.
What is the SMILES notation for 2-[1-[(3,4-dimethylcyclohexyl)carbamoyl]piperidin-3-yl]acetic acid?
The canonical SMILES for 2-[1-[(3,4-dimethylcyclohexyl)carbamoyl]piperidin-3-yl]acetic acid is CC1CCC(NC(=O)N2CCCC(CC(=O)O)C2)CC1C.
What is the InChIKey of 2-[1-[(3,4-dimethylcyclohexyl)carbamoyl]piperidin-3-yl]acetic acid?
The InChIKey is YFRCVNORCWMPDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O3/c1-11-5-6-14(8-12(11)2)17-16(21)18-7-3-4-13(10-18)9-15(19)20/h11-14H,3-10H2,1-2H3,(H,17,21)(H,19,20).
What are the key properties of 2-[1-[(3,4-dimethylcyclohexyl)carbamoyl]piperidin-3-yl]acetic acid?
2-[1-[(3,4-dimethylcyclohexyl)carbamoyl]piperidin-3-yl]acetic acid has a molecular weight of 296.41 g/mol, XLogP of 2.71, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(3,4-dimethylcyclohexyl)carbamoyl]piperidin-3-yl]acetic acid is sourced from PubChem (CID 64742546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).