N-[[1-[2-(2-methylbutanoylamino)benzoyl]piperidin-4-yl]methyl]cyclobutanecarboxamide

C23H33N3O3 — CID 131907011

IUPACN-[[1-[2-(2-methylbutanoylamino)benzoyl]piperidin-4-yl]methyl]cyclobutanecarboxamide
SMILESCCC(C)C(=O)Nc1ccccc1C(=O)N1CCC(CNC(=O)C2CCC2)CC1
InChIInChI=1S/C23H33N3O3/c1-3-16(2)21(27)25-20-10-5-4-9-19(20)23(29)26-13-11-17(12-14-26)15-24-22(28)18-7-6-8-18/h4-5,9-10,16-18H,3,6-8,11-15H2,1-2H3,(H,24,28)(H,25,27)
InChIKeyOKULMQNNZQMMGN-UHFFFAOYSA-N
MW399.54 g/mol
LogP3.44
Rot. Bonds7

About N-[[1-[2-(2-methylbutanoylamino)benzoyl]piperidin-4-yl]methyl]cyclobutanecarboxamide

N-[[1-[2-(2-methylbutanoylamino)benzoyl]piperidin-4-yl]methyl]cyclobutanecarboxamide (PubChem CID 131907011) has the molecular formula C23H33N3O3 and a molecular weight of 399.54 g/mol. Its IUPAC name is N-[[1-[2-(2-methylbutanoylamino)benzoyl]piperidin-4-yl]methyl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[[1-[2-(2-methylbutanoylamino)benzoyl]piperidin-4-yl]methyl]cyclobutanecarboxamide
PubChem CID131907011
Molecular FormulaC23H33N3O3
Molecular Weight399.54 g/mol
Exact Mass399.25
IUPAC NameN-[[1-[2-(2-methylbutanoylamino)benzoyl]piperidin-4-yl]methyl]cyclobutanecarboxamide
SMILESCCC(C)C(=O)Nc1ccccc1C(=O)N1CCC(CNC(=O)C2CCC2)CC1
InChIInChI=1S/C23H33N3O3/c1-3-16(2)21(27)25-20-10-5-4-9-19(20)23(29)26-13-11-17(12-14-26)15-24-22(28)18-7-6-8-18/h4-5,9-10,16-18H,3,6-8,11-15H2,1-2H3,(H,24,28)(H,25,27)
InChIKeyOKULMQNNZQMMGN-UHFFFAOYSA-N
XLogP3.44
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.54
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]butanamide
CID 17256771
N-[2-(4-methylpiperidine-1-carbonyl)phenyl]cyclohexanecarboxamide
CID 4939416
2-methyl-N-[2-(3-pyridin-4-ylazetidine-1-carbonyl)phenyl]butanamide
CID 131889049
N-(3-methylbutyl)-1-[2-[[2-(2-methylpropyl)benzoyl]amino]benzoyl]piperidine-4-carboxamide
CID 166782044
1-[2-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]phenyl]-3-propan-2-ylurea;hydrochloride
CID 119542097
N-[2-(4-methylpiperazine-1-carbonyl)phenyl]cyclohexanecarboxamide
CID 4943642
1-propyl-3-[2-(pyrrolidine-1-carbonyl)phenyl]urea
CID 47201043
3-amino-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]cyclohexane-1-carboxamide
CID 119711788
N-[2-[4-(methylaminomethyl)piperidine-1-carbonyl]phenyl]benzamide;hydrochloride
CID 119545134
N-[2-(azepane-1-carbonyl)phenyl]-1-methylpiperidine-4-carboxamide
CID 99970642
1-methyl-N-[2-(piperidine-1-carbonyl)phenyl]piperidine-4-carboxamide
CID 99817673
(2R)-2-naphthalen-2-yloxy-N-[2-(pyrrolidine-1-carbonyl)phenyl]butanamide
CID 28633196

Frequently Asked Questions

What is the IUPAC name of N-[[1-[2-(2-methylbutanoylamino)benzoyl]piperidin-4-yl]methyl]cyclobutanecarboxamide?
The IUPAC name of N-[[1-[2-(2-methylbutanoylamino)benzoyl]piperidin-4-yl]methyl]cyclobutanecarboxamide (CID 131907011) is N-[[1-[2-(2-methylbutanoylamino)benzoyl]piperidin-4-yl]methyl]cyclobutanecarboxamide.
What is the SMILES notation for N-[[1-[2-(2-methylbutanoylamino)benzoyl]piperidin-4-yl]methyl]cyclobutanecarboxamide?
The canonical SMILES for N-[[1-[2-(2-methylbutanoylamino)benzoyl]piperidin-4-yl]methyl]cyclobutanecarboxamide is CCC(C)C(=O)Nc1ccccc1C(=O)N1CCC(CNC(=O)C2CCC2)CC1.
What is the InChIKey of N-[[1-[2-(2-methylbutanoylamino)benzoyl]piperidin-4-yl]methyl]cyclobutanecarboxamide?
The InChIKey is OKULMQNNZQMMGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N3O3/c1-3-16(2)21(27)25-20-10-5-4-9-19(20)23(29)26-13-11-17(12-14-26)15-24-22(28)18-7-6-8-18/h4-5,9-10,16-18H,3,6-8,11-15H2,1-2H3,(H,24,28)(H,25,27).
What are the key properties of N-[[1-[2-(2-methylbutanoylamino)benzoyl]piperidin-4-yl]methyl]cyclobutanecarboxamide?
N-[[1-[2-(2-methylbutanoylamino)benzoyl]piperidin-4-yl]methyl]cyclobutanecarboxamide has a molecular weight of 399.54 g/mol, XLogP of 3.44, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[2-(2-methylbutanoylamino)benzoyl]piperidin-4-yl]methyl]cyclobutanecarboxamide is sourced from PubChem (CID 131907011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).