2-[(4-propylpiperidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid

C16H28N2O3 — CID 64815387

IUPAC2-[(4-propylpiperidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid
SMILESCCCC1CCN(C(=O)NC2CCCCC2C(=O)O)CC1
InChIInChI=1S/C16H28N2O3/c1-2-5-12-8-10-18(11-9-12)16(21)17-14-7-4-3-6-13(14)15(19)20/h12-14H,2-11H2,1H3,(H,17,21)(H,19,20)
InChIKeyNMWJFBYCSGGCIH-UHFFFAOYSA-N
MW296.41 g/mol
LogP2.85
Rot. Bonds4

About 2-[(4-propylpiperidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid

2-[(4-propylpiperidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid (PubChem CID 64815387) has the molecular formula C16H28N2O3 and a molecular weight of 296.41 g/mol. Its IUPAC name is 2-[(4-propylpiperidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(4-propylpiperidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid
PubChem CID64815387
Molecular FormulaC16H28N2O3
Molecular Weight296.41 g/mol
Exact Mass296.21
IUPAC Name2-[(4-propylpiperidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid
SMILESCCCC1CCN(C(=O)NC2CCCCC2C(=O)O)CC1
InChIInChI=1S/C16H28N2O3/c1-2-5-12-8-10-18(11-9-12)16(21)17-14-7-4-3-6-13(14)15(19)20/h12-14H,2-11H2,1H3,(H,17,21)(H,19,20)
InChIKeyNMWJFBYCSGGCIH-UHFFFAOYSA-N
XLogP2.85
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(azepane-1-carbonylamino)cyclohexane-1-carboxylic acid
CID 64816878
2-[(4-tert-butylpiperidine-1-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 64817139
cis-(1R,2S)-2-(azetidine-1-carbonylamino)cyclopentane-1-carboxylic acid
CID 164662283
2-[(3-hydroxy-4-methylpiperidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 102962212
2-[(4-hydroxy-3-methylpiperidine-1-carbonyl)amino]cycloheptane-1-carboxylic acid
CID 114679599
2-[[4-(cyclopropylmethyl)piperazine-1-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 64818080
4-methyl-N-(4-propylcyclohexyl)piperidine-1-carboxamide
CID 115590990
2-[[3-(hydroxymethyl)piperidine-1-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 64815349
2-[(4-methyl-3-oxopiperazine-1-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 64815431
2-[(2,2-dimethylpyrrolidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 64815791
2-[(3-ethoxypiperidine-1-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 64817701
2-[(3-methoxypiperidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 102962999

Frequently Asked Questions

What is the IUPAC name of 2-[(4-propylpiperidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 2-[(4-propylpiperidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid (CID 64815387) is 2-[(4-propylpiperidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-[(4-propylpiperidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 2-[(4-propylpiperidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid is CCCC1CCN(C(=O)NC2CCCCC2C(=O)O)CC1.
What is the InChIKey of 2-[(4-propylpiperidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid?
The InChIKey is NMWJFBYCSGGCIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O3/c1-2-5-12-8-10-18(11-9-12)16(21)17-14-7-4-3-6-13(14)15(19)20/h12-14H,2-11H2,1H3,(H,17,21)(H,19,20).
What are the key properties of 2-[(4-propylpiperidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid?
2-[(4-propylpiperidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid has a molecular weight of 296.41 g/mol, XLogP of 2.85, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-propylpiperidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 64815387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).