4-[[4-[butyl(methyl)carbamoyl]piperidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid

C19H33N3O4 — CID 122025052

IUPAC4-[[4-[butyl(methyl)carbamoyl]piperidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid
SMILESCCCCN(C)C(=O)C1CCN(C(=O)NC2CCC(C(=O)O)CC2)CC1
InChIInChI=1S/C19H33N3O4/c1-3-4-11-21(2)17(23)14-9-12-22(13-10-14)19(26)20-16-7-5-15(6-8-16)18(24)25/h14-16H,3-13H2,1-2H3,(H,20,26)(H,24,25)
InChIKeyMNBBEEYLGKIDPD-UHFFFAOYSA-N
MW367.49 g/mol
LogP2.31
Rot. Bonds6

About 4-[[4-[butyl(methyl)carbamoyl]piperidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid

4-[[4-[butyl(methyl)carbamoyl]piperidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid (PubChem CID 122025052) has the molecular formula C19H33N3O4 and a molecular weight of 367.49 g/mol. Its IUPAC name is 4-[[4-[butyl(methyl)carbamoyl]piperidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[[4-[butyl(methyl)carbamoyl]piperidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid
PubChem CID122025052
Molecular FormulaC19H33N3O4
Molecular Weight367.49 g/mol
Exact Mass367.25
IUPAC Name4-[[4-[butyl(methyl)carbamoyl]piperidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid
SMILESCCCCN(C)C(=O)C1CCN(C(=O)NC2CCC(C(=O)O)CC2)CC1
InChIInChI=1S/C19H33N3O4/c1-3-4-11-21(2)17(23)14-9-12-22(13-10-14)19(26)20-16-7-5-15(6-8-16)18(24)25/h14-16H,3-13H2,1-2H3,(H,20,26)(H,24,25)
InChIKeyMNBBEEYLGKIDPD-UHFFFAOYSA-N
XLogP2.31
TPSA89.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-butyl-1-(cyclopentanecarbonyl)-N-methylpiperidine-4-carboxamide
CID 87022999
N-butyl-N-methyl-1-[2-(methylamino)acetyl]piperidine-4-carboxamide;hydrochloride
CID 119738389
4-[(4-carbamoylpiperidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 61193762
1-[[(1S,3R)-3-ethoxycarbonylcyclopentyl]carbamoyl]piperidine-4-carboxylic acid
CID 122013092
N-butyl-N-methyl-1-(oxolane-2-carbonyl)piperidine-4-carboxamide
CID 113005644
4-[[3-(dimethylamino)propyl-methylcarbamoyl]amino]cyclohexane-1-carboxylic acid
CID 63700992
4-[(4-methylazepane-1-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 63626346
4-[[butyl(2-hydroxyethyl)carbamoyl]amino]cyclohexane-1-carboxylic acid
CID 61447425
1-(oxan-4-ylcarbamoyl)piperidine-4-carboxylic acid
CID 43610485
4-(piperazine-1-carbonylamino)cyclohexane-1-carboxylic acid
CID 19391498
N-butyl-1-[4-(cyclopropanecarbonylamino)benzoyl]-N-methylpiperidine-4-carboxamide
CID 55836292
N-butyl-N-methyl-1-(8-oxobicyclo[3.2.1]octane-3-carbonyl)piperidine-4-carboxamide
CID 102560286

Frequently Asked Questions

What is the IUPAC name of 4-[[4-[butyl(methyl)carbamoyl]piperidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[[4-[butyl(methyl)carbamoyl]piperidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid (CID 122025052) is 4-[[4-[butyl(methyl)carbamoyl]piperidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[[4-[butyl(methyl)carbamoyl]piperidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[[4-[butyl(methyl)carbamoyl]piperidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid is CCCCN(C)C(=O)C1CCN(C(=O)NC2CCC(C(=O)O)CC2)CC1.
What is the InChIKey of 4-[[4-[butyl(methyl)carbamoyl]piperidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid?
The InChIKey is MNBBEEYLGKIDPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N3O4/c1-3-4-11-21(2)17(23)14-9-12-22(13-10-14)19(26)20-16-7-5-15(6-8-16)18(24)25/h14-16H,3-13H2,1-2H3,(H,20,26)(H,24,25).
What are the key properties of 4-[[4-[butyl(methyl)carbamoyl]piperidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid?
4-[[4-[butyl(methyl)carbamoyl]piperidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid has a molecular weight of 367.49 g/mol, XLogP of 2.31, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[butyl(methyl)carbamoyl]piperidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 122025052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).