N-[1-[2-(4-butylphenyl)acetyl]piperidin-4-yl]cyclopropanecarboxamide

C21H30N2O2 — CID 46443319

IUPACN-[1-[2-(4-butylphenyl)acetyl]piperidin-4-yl]cyclopropanecarboxamide
SMILESCCCCc1ccc(CC(=O)N2CCC(NC(=O)C3CC3)CC2)cc1
InChIInChI=1S/C21H30N2O2/c1-2-3-4-16-5-7-17(8-6-16)15-20(24)23-13-11-19(12-14-23)22-21(25)18-9-10-18/h5-8,18-19H,2-4,9-15H2,1H3,(H,22,25)
InChIKeyVJTVUILKKMNUSC-UHFFFAOYSA-N
MW342.48 g/mol
LogP3.09
Rot. Bonds7

About N-[1-[2-(4-butylphenyl)acetyl]piperidin-4-yl]cyclopropanecarboxamide

N-[1-[2-(4-butylphenyl)acetyl]piperidin-4-yl]cyclopropanecarboxamide (PubChem CID 46443319) has the molecular formula C21H30N2O2 and a molecular weight of 342.48 g/mol. Its IUPAC name is N-[1-[2-(4-butylphenyl)acetyl]piperidin-4-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[1-[2-(4-butylphenyl)acetyl]piperidin-4-yl]cyclopropanecarboxamide
PubChem CID46443319
Molecular FormulaC21H30N2O2
Molecular Weight342.48 g/mol
Exact Mass342.23
IUPAC NameN-[1-[2-(4-butylphenyl)acetyl]piperidin-4-yl]cyclopropanecarboxamide
SMILESCCCCc1ccc(CC(=O)N2CCC(NC(=O)C3CC3)CC2)cc1
InChIInChI=1S/C21H30N2O2/c1-2-3-4-16-5-7-17(8-6-16)15-20(24)23-13-11-19(12-14-23)22-21(25)18-9-10-18/h5-8,18-19H,2-4,9-15H2,1H3,(H,22,25)
InChIKeyVJTVUILKKMNUSC-UHFFFAOYSA-N
XLogP3.09
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.48
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-[2-(4-aminophenyl)acetyl]piperidin-4-yl]cyclopropanecarboxamide
CID 119702473
2-(4-butylphenyl)-1-(4-hydroxypiperidin-1-yl)ethanone
CID 43393419
N-[1-[2-(4-chlorophenyl)acetyl]piperidin-4-yl]cyclohexanecarboxamide
CID 108559585
N-[1-[2-(4-fluorophenyl)acetyl]piperidin-4-yl]cyclohexanecarboxamide
CID 51096411
N-[1-(2-phenylacetyl)piperidin-4-yl]cyclohexanecarboxamide
CID 2817995
N-[1-(3-phenylpropanoyl)piperidin-4-yl]cyclopropanecarboxamide
CID 110820836
N-(1-butanoylpiperidin-4-yl)cyclopropanecarboxamide
CID 60758370
N-cyclohexyl-1-(2-phenylacetyl)piperidine-4-carboxamide
CID 84514889
N-cycloheptyl-1-(2-phenylacetyl)piperidine-4-carboxamide
CID 2300454
2-(4-butylphenyl)-1-piperazin-1-ylethanone;hydrochloride
CID 119403589
N-[1-(2-phenylacetyl)piperidin-4-yl]propanamide
CID 110820721
1-[1-[2-(4-methylphenyl)acetyl]piperidin-4-yl]-3-propylurea
CID 110822794

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(4-butylphenyl)acetyl]piperidin-4-yl]cyclopropanecarboxamide?
The IUPAC name of N-[1-[2-(4-butylphenyl)acetyl]piperidin-4-yl]cyclopropanecarboxamide (CID 46443319) is N-[1-[2-(4-butylphenyl)acetyl]piperidin-4-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[1-[2-(4-butylphenyl)acetyl]piperidin-4-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[1-[2-(4-butylphenyl)acetyl]piperidin-4-yl]cyclopropanecarboxamide is CCCCc1ccc(CC(=O)N2CCC(NC(=O)C3CC3)CC2)cc1.
What is the InChIKey of N-[1-[2-(4-butylphenyl)acetyl]piperidin-4-yl]cyclopropanecarboxamide?
The InChIKey is VJTVUILKKMNUSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2O2/c1-2-3-4-16-5-7-17(8-6-16)15-20(24)23-13-11-19(12-14-23)22-21(25)18-9-10-18/h5-8,18-19H,2-4,9-15H2,1H3,(H,22,25).
What are the key properties of N-[1-[2-(4-butylphenyl)acetyl]piperidin-4-yl]cyclopropanecarboxamide?
N-[1-[2-(4-butylphenyl)acetyl]piperidin-4-yl]cyclopropanecarboxamide has a molecular weight of 342.48 g/mol, XLogP of 3.09, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(4-butylphenyl)acetyl]piperidin-4-yl]cyclopropanecarboxamide is sourced from PubChem (CID 46443319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).