1-[1-[(4-methylcyclohexyl)amino]-1-oxopropan-2-yl]piperidine-4-carboxylic acid

C16H28N2O3 — CID 119908292

IUPAC1-[1-[(4-methylcyclohexyl)amino]-1-oxopropan-2-yl]piperidine-4-carboxylic acid
SMILESCC1CCC(NC(=O)C(C)N2CCC(C(=O)O)CC2)CC1
InChIInChI=1S/C16H28N2O3/c1-11-3-5-14(6-4-11)17-15(19)12(2)18-9-7-13(8-10-18)16(20)21/h11-14H,3-10H2,1-2H3,(H,17,19)(H,20,21)
InChIKeyFEJJRNPOAXAIIZ-UHFFFAOYSA-N
MW296.41 g/mol
LogP1.87
Rot. Bonds4

About 1-[1-[(4-methylcyclohexyl)amino]-1-oxopropan-2-yl]piperidine-4-carboxylic acid

1-[1-[(4-methylcyclohexyl)amino]-1-oxopropan-2-yl]piperidine-4-carboxylic acid (PubChem CID 119908292) has the molecular formula C16H28N2O3 and a molecular weight of 296.41 g/mol. Its IUPAC name is 1-[1-[(4-methylcyclohexyl)amino]-1-oxopropan-2-yl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[1-[(4-methylcyclohexyl)amino]-1-oxopropan-2-yl]piperidine-4-carboxylic acid
PubChem CID119908292
Molecular FormulaC16H28N2O3
Molecular Weight296.41 g/mol
Exact Mass296.21
IUPAC Name1-[1-[(4-methylcyclohexyl)amino]-1-oxopropan-2-yl]piperidine-4-carboxylic acid
SMILESCC1CCC(NC(=O)C(C)N2CCC(C(=O)O)CC2)CC1
InChIInChI=1S/C16H28N2O3/c1-11-3-5-14(6-4-11)17-15(19)12(2)18-9-7-13(8-10-18)16(20)21/h11-14H,3-10H2,1-2H3,(H,17,19)(H,20,21)
InChIKeyFEJJRNPOAXAIIZ-UHFFFAOYSA-N
XLogP1.87
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl]piperidine-4-carboxylic acid
CID 119906559
N-cyclopropyl-2-[4-(methylamino)piperidin-1-yl]propanamide
CID 60820306
tert-butyl N-[1-[1-[(4-methylcyclohexyl)amino]-1-oxopropan-2-yl]piperidin-4-yl]carbamate
CID 60512573
1-[1-(ethylamino)-1-oxopropan-2-yl]piperidine-4-carboxylic acid
CID 43385831
N-cyclopropyl-2-(4-piperidin-1-ylpiperidin-1-yl)propanamide
CID 3229556
2-[4-(cyclohexylcarbamoylamino)piperidin-1-yl]-N-cyclopropylpropanamide
CID 60573199
1-[1-(3,5-dimethylpiperidin-1-yl)-1-oxopropan-2-yl]piperidine-4-carboxylic acid
CID 119907170
2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-(4-methylcyclohexyl)propanamide
CID 120761631
1-[1-oxo-1-(prop-2-enylamino)propan-2-yl]piperidine-4-carboxylic acid
CID 43385844
1-[1-(cyclopentylamino)-1-oxopropan-2-yl]-2-methylpiperidine-4-carboxylic acid
CID 106745113
(2S)-2-hydroxy-N-(4-methylcyclohexyl)propanamide
CID 70253137
4-[1-[(4-methylcyclohexyl)amino]-1-oxopropan-2-yl]morpholine-2-carboxamide
CID 49451109

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(4-methylcyclohexyl)amino]-1-oxopropan-2-yl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[1-[(4-methylcyclohexyl)amino]-1-oxopropan-2-yl]piperidine-4-carboxylic acid (CID 119908292) is 1-[1-[(4-methylcyclohexyl)amino]-1-oxopropan-2-yl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[1-[(4-methylcyclohexyl)amino]-1-oxopropan-2-yl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[1-[(4-methylcyclohexyl)amino]-1-oxopropan-2-yl]piperidine-4-carboxylic acid is CC1CCC(NC(=O)C(C)N2CCC(C(=O)O)CC2)CC1.
What is the InChIKey of 1-[1-[(4-methylcyclohexyl)amino]-1-oxopropan-2-yl]piperidine-4-carboxylic acid?
The InChIKey is FEJJRNPOAXAIIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O3/c1-11-3-5-14(6-4-11)17-15(19)12(2)18-9-7-13(8-10-18)16(20)21/h11-14H,3-10H2,1-2H3,(H,17,19)(H,20,21).
What are the key properties of 1-[1-[(4-methylcyclohexyl)amino]-1-oxopropan-2-yl]piperidine-4-carboxylic acid?
1-[1-[(4-methylcyclohexyl)amino]-1-oxopropan-2-yl]piperidine-4-carboxylic acid has a molecular weight of 296.41 g/mol, XLogP of 1.87, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(4-methylcyclohexyl)amino]-1-oxopropan-2-yl]piperidine-4-carboxylic acid is sourced from PubChem (CID 119908292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).