2-[(1-propylpiperidin-4-yl)carbamoyl]cyclohexane-1-carboxylic acid

C16H28N2O3 — CID 17376897

IUPAC2-[(1-propylpiperidin-4-yl)carbamoyl]cyclohexane-1-carboxylic acid
SMILESCCCN1CCC(NC(=O)C2CCCCC2C(=O)O)CC1
InChIInChI=1S/C16H28N2O3/c1-2-9-18-10-7-12(8-11-18)17-15(19)13-5-3-4-6-14(13)16(20)21/h12-14H,2-11H2,1H3,(H,17,19)(H,20,21)
InChIKeyBPFLMAMKMDCJAV-UHFFFAOYSA-N
MW296.41 g/mol
LogP1.87
Rot. Bonds5

About 2-[(1-propylpiperidin-4-yl)carbamoyl]cyclohexane-1-carboxylic acid

2-[(1-propylpiperidin-4-yl)carbamoyl]cyclohexane-1-carboxylic acid (PubChem CID 17376897) has the molecular formula C16H28N2O3 and a molecular weight of 296.41 g/mol. Its IUPAC name is 2-[(1-propylpiperidin-4-yl)carbamoyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(1-propylpiperidin-4-yl)carbamoyl]cyclohexane-1-carboxylic acid
PubChem CID17376897
Molecular FormulaC16H28N2O3
Molecular Weight296.41 g/mol
Exact Mass296.21
IUPAC Name2-[(1-propylpiperidin-4-yl)carbamoyl]cyclohexane-1-carboxylic acid
SMILESCCCN1CCC(NC(=O)C2CCCCC2C(=O)O)CC1
InChIInChI=1S/C16H28N2O3/c1-2-9-18-10-7-12(8-11-18)17-15(19)13-5-3-4-6-14(13)16(20)21/h12-14H,2-11H2,1H3,(H,17,19)(H,20,21)
InChIKeyBPFLMAMKMDCJAV-UHFFFAOYSA-N
XLogP1.87
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
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

2-amino-N-(1-propylpiperidin-4-yl)cyclohexane-1-carboxamide
CID 62777037
5-[(1-propylpiperidin-4-yl)carbamoyl]oxolane-2-carboxylic acid
CID 102687897
cis-(1S,2R)-2-[(4-methylcyclohexyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 114091666
4-methyl-1-[(1-propylpiperidin-4-yl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 63721477
cis-(1S,2R)-2-[(3-methylcyclopentyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 114093102
1-[(1-propylpiperidin-4-yl)carbamoyl]cyclopropane-1-carboxylic acid
CID 62095589
2-(cyclobutylcarbamoyl)cyclobutane-1-carboxylic acid
CID 130735456
N-(1-propylpiperidin-4-yl)prop-2-enamide
CID 61251540
2-amino-N-(1-ethylpiperidin-4-yl)cyclopentane-1-carboxamide
CID 64824596
2-[(1-methylpiperidin-4-yl)carbamoyl]cyclopropane-1-carboxylic acid
CID 60792023
(2S)-2-amino-N-(1-propylpiperidin-4-yl)propanamide;dihydrochloride
CID 119834930
(2R)-2-amino-N-(1-propylpiperidin-4-yl)propanamide;dihydrochloride
CID 119834920

Frequently Asked Questions

What is the IUPAC name of 2-[(1-propylpiperidin-4-yl)carbamoyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 2-[(1-propylpiperidin-4-yl)carbamoyl]cyclohexane-1-carboxylic acid (CID 17376897) is 2-[(1-propylpiperidin-4-yl)carbamoyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-[(1-propylpiperidin-4-yl)carbamoyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 2-[(1-propylpiperidin-4-yl)carbamoyl]cyclohexane-1-carboxylic acid is CCCN1CCC(NC(=O)C2CCCCC2C(=O)O)CC1.
What is the InChIKey of 2-[(1-propylpiperidin-4-yl)carbamoyl]cyclohexane-1-carboxylic acid?
The InChIKey is BPFLMAMKMDCJAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O3/c1-2-9-18-10-7-12(8-11-18)17-15(19)13-5-3-4-6-14(13)16(20)21/h12-14H,2-11H2,1H3,(H,17,19)(H,20,21).
What are the key properties of 2-[(1-propylpiperidin-4-yl)carbamoyl]cyclohexane-1-carboxylic acid?
2-[(1-propylpiperidin-4-yl)carbamoyl]cyclohexane-1-carboxylic acid has a molecular weight of 296.41 g/mol, XLogP of 1.87, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-propylpiperidin-4-yl)carbamoyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 17376897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).