2-[3-(butylcarbamoyl)piperidine-1-carbonyl]cyclobutane-1-carboxylic acid

C16H26N2O4 — CID 120975736

IUPAC2-[3-(butylcarbamoyl)piperidine-1-carbonyl]cyclobutane-1-carboxylic acid
SMILESCCCCNC(=O)C1CCCN(C(=O)C2CCC2C(=O)O)C1
InChIInChI=1S/C16H26N2O4/c1-2-3-8-17-14(19)11-5-4-9-18(10-11)15(20)12-6-7-13(12)16(21)22/h11-13H,2-10H2,1H3,(H,17,19)(H,21,22)
InChIKeyHADLJSLGPVGAJJ-UHFFFAOYSA-N
MW310.39 g/mol
LogP1.25
Rot. Bonds6

About 2-[3-(butylcarbamoyl)piperidine-1-carbonyl]cyclobutane-1-carboxylic acid

2-[3-(butylcarbamoyl)piperidine-1-carbonyl]cyclobutane-1-carboxylic acid (PubChem CID 120975736) has the molecular formula C16H26N2O4 and a molecular weight of 310.39 g/mol. Its IUPAC name is 2-[3-(butylcarbamoyl)piperidine-1-carbonyl]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name2-[3-(butylcarbamoyl)piperidine-1-carbonyl]cyclobutane-1-carboxylic acid
PubChem CID120975736
Molecular FormulaC16H26N2O4
Molecular Weight310.39 g/mol
Exact Mass310.19
IUPAC Name2-[3-(butylcarbamoyl)piperidine-1-carbonyl]cyclobutane-1-carboxylic acid
SMILESCCCCNC(=O)C1CCCN(C(=O)C2CCC2C(=O)O)C1
InChIInChI=1S/C16H26N2O4/c1-2-3-8-17-14(19)11-5-4-9-18(10-11)15(20)12-6-7-13(12)16(21)22/h11-13H,2-10H2,1H3,(H,17,19)(H,21,22)
InChIKeyHADLJSLGPVGAJJ-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

methyl 3-(butylcarbamoyl)piperidine-1-carboxylate
CID 110754259
N-butyl-1-(piperidine-2-carbonyl)piperidine-3-carboxamide
CID 119311468
N-butyl-1-(2,2,2-trifluoroacetyl)piperidine-3-carboxamide
CID 110344181
1-(2-hydroxycyclopentanecarbonyl)-N-propylpiperidine-3-carboxamide
CID 110014381
2-[5-(butylcarbamoyl)-2-methylpiperidine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 119182113
(3R)-N-butyl-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide
CID 94010550
1-(4-hydroxypyrrolidine-2-carbonyl)-N-propylpiperidine-3-carboxamide
CID 119763378
1-(2-amino-2-methylpentanoyl)-N-butylpiperidine-3-carboxamide;hydrochloride
CID 119762881
1-(3-aminocyclopentanecarbonyl)-N-propylpiperidine-3-carboxamide;hydrochloride
CID 119763367
tert-butyl 3-(pentylcarbamoyl)piperidine-1-carboxylate
CID 43176190
1-benzoyl-N-octylpiperidine-3-carboxamide
CID 70028584
(3R)-3-N-butyl-1-N-[4-(phenylcarbamoylamino)phenyl]piperidine-1,3-dicarboxamide
CID 92900294

Frequently Asked Questions

What is the IUPAC name of 2-[3-(butylcarbamoyl)piperidine-1-carbonyl]cyclobutane-1-carboxylic acid?
The IUPAC name of 2-[3-(butylcarbamoyl)piperidine-1-carbonyl]cyclobutane-1-carboxylic acid (CID 120975736) is 2-[3-(butylcarbamoyl)piperidine-1-carbonyl]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 2-[3-(butylcarbamoyl)piperidine-1-carbonyl]cyclobutane-1-carboxylic acid?
The canonical SMILES for 2-[3-(butylcarbamoyl)piperidine-1-carbonyl]cyclobutane-1-carboxylic acid is CCCCNC(=O)C1CCCN(C(=O)C2CCC2C(=O)O)C1.
What is the InChIKey of 2-[3-(butylcarbamoyl)piperidine-1-carbonyl]cyclobutane-1-carboxylic acid?
The InChIKey is HADLJSLGPVGAJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O4/c1-2-3-8-17-14(19)11-5-4-9-18(10-11)15(20)12-6-7-13(12)16(21)22/h11-13H,2-10H2,1H3,(H,17,19)(H,21,22).
What are the key properties of 2-[3-(butylcarbamoyl)piperidine-1-carbonyl]cyclobutane-1-carboxylic acid?
2-[3-(butylcarbamoyl)piperidine-1-carbonyl]cyclobutane-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-[3-(butylcarbamoyl)piperidine-1-carbonyl]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 120975736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).