2-[5-(butylcarbamoyl)-2-methylpiperidine-1-carbonyl]cyclopropane-1-carboxylic acid

C16H26N2O4 — CID 119182113

IUPAC2-[5-(butylcarbamoyl)-2-methylpiperidine-1-carbonyl]cyclopropane-1-carboxylic acid
SMILESCCCCNC(=O)C1CCC(C)N(C(=O)C2CC2C(=O)O)C1
InChIInChI=1S/C16H26N2O4/c1-3-4-7-17-14(19)11-6-5-10(2)18(9-11)15(20)12-8-13(12)16(21)22/h10-13H,3-9H2,1-2H3,(H,17,19)(H,21,22)
InChIKeyFGWLEDZUVFRQOM-UHFFFAOYSA-N
MW310.39 g/mol
LogP1.25
Rot. Bonds6

About 2-[5-(butylcarbamoyl)-2-methylpiperidine-1-carbonyl]cyclopropane-1-carboxylic acid

2-[5-(butylcarbamoyl)-2-methylpiperidine-1-carbonyl]cyclopropane-1-carboxylic acid (PubChem CID 119182113) has the molecular formula C16H26N2O4 and a molecular weight of 310.39 g/mol. Its IUPAC name is 2-[5-(butylcarbamoyl)-2-methylpiperidine-1-carbonyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-[5-(butylcarbamoyl)-2-methylpiperidine-1-carbonyl]cyclopropane-1-carboxylic acid
PubChem CID119182113
Molecular FormulaC16H26N2O4
Molecular Weight310.39 g/mol
Exact Mass310.19
IUPAC Name2-[5-(butylcarbamoyl)-2-methylpiperidine-1-carbonyl]cyclopropane-1-carboxylic acid
SMILESCCCCNC(=O)C1CCC(C)N(C(=O)C2CC2C(=O)O)C1
InChIInChI=1S/C16H26N2O4/c1-3-4-7-17-14(19)11-6-5-10(2)18(9-11)15(20)12-8-13(12)16(21)22/h10-13H,3-9H2,1-2H3,(H,17,19)(H,21,22)
InChIKeyFGWLEDZUVFRQOM-UHFFFAOYSA-N
XLogP1.25
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.39
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(3R,6R)-1-acetyl-N-butyl-6-methylpiperidine-3-carboxamide
CID 95675542
2-[5-(2-methoxyethylcarbamoyl)-2-methylpiperidine-1-carbonyl]cyclobutane-1-carboxylic acid
CID 120975412
N-butyl-6-methyl-1-(pyrrolidine-3-carbonyl)piperidine-3-carboxamide;hydrochloride
CID 119744484
2-[3-(butylcarbamoyl)piperidine-1-carbonyl]cyclobutane-1-carboxylic acid
CID 120975736
1-(4-aminopentanoyl)-N-butyl-6-methylpiperidine-3-carboxamide;hydrochloride
CID 120561073
N-butyl-1-(2-hydroxy-2-phenylacetyl)-6-methylpiperidine-3-carboxamide
CID 111464473
1-(3-amino-3-phenylpropanoyl)-N-butyl-6-methylpiperidine-3-carboxamide
CID 119950444
N-butyl-6-methyl-1-(2-methyl-3-phenylsulfanylpropanoyl)piperidine-3-carboxamide
CID 86935196
N-butyl-1-[3-(methoxymethyl)benzoyl]-6-methylpiperidine-3-carboxamide
CID 51093171
1-(4-bromo-5-propan-2-yl-1H-pyrazole-3-carbonyl)-N-butyl-6-methylpiperidine-3-carboxamide
CID 56567002
N-butyl-6-methyl-1-piperidin-1-ylsulfonylpiperidine-3-carboxamide
CID 60568206
N-butyl-6-methyl-1-(3-piperidin-3-ylbutanoyl)piperidine-3-carboxamide
CID 119744465

Frequently Asked Questions

What is the IUPAC name of 2-[5-(butylcarbamoyl)-2-methylpiperidine-1-carbonyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 2-[5-(butylcarbamoyl)-2-methylpiperidine-1-carbonyl]cyclopropane-1-carboxylic acid (CID 119182113) is 2-[5-(butylcarbamoyl)-2-methylpiperidine-1-carbonyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-[5-(butylcarbamoyl)-2-methylpiperidine-1-carbonyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-[5-(butylcarbamoyl)-2-methylpiperidine-1-carbonyl]cyclopropane-1-carboxylic acid is CCCCNC(=O)C1CCC(C)N(C(=O)C2CC2C(=O)O)C1.
What is the InChIKey of 2-[5-(butylcarbamoyl)-2-methylpiperidine-1-carbonyl]cyclopropane-1-carboxylic acid?
The InChIKey is FGWLEDZUVFRQOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O4/c1-3-4-7-17-14(19)11-6-5-10(2)18(9-11)15(20)12-8-13(12)16(21)22/h10-13H,3-9H2,1-2H3,(H,17,19)(H,21,22).
What are the key properties of 2-[5-(butylcarbamoyl)-2-methylpiperidine-1-carbonyl]cyclopropane-1-carboxylic acid?
2-[5-(butylcarbamoyl)-2-methylpiperidine-1-carbonyl]cyclopropane-1-carboxylic acid has a molecular weight of 310.39 g/mol, XLogP of 1.25, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(butylcarbamoyl)-2-methylpiperidine-1-carbonyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 119182113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).