N-(cyclobutylmethyl)-N-(1-phenylethyl)-3-piperidin-4-ylbutanamide

C22H34N2O — CID 119799552

IUPACN-(cyclobutylmethyl)-N-(1-phenylethyl)-3-piperidin-4-ylbutanamide
SMILESCC(CC(=O)N(CC1CCC1)C(C)c1ccccc1)C1CCNCC1
InChIInChI=1S/C22H34N2O/c1-17(20-11-13-23-14-12-20)15-22(25)24(16-19-7-6-8-19)18(2)21-9-4-3-5-10-21/h3-5,9-10,17-20,23H,6-8,11-16H2,1-2H3
InChIKeyWPHZUMDYNQFLMJ-UHFFFAOYSA-N
MW342.53 g/mol
LogP4.40
Rot. Bonds7

About N-(cyclobutylmethyl)-N-(1-phenylethyl)-3-piperidin-4-ylbutanamide

N-(cyclobutylmethyl)-N-(1-phenylethyl)-3-piperidin-4-ylbutanamide (PubChem CID 119799552) has the molecular formula C22H34N2O and a molecular weight of 342.53 g/mol. Its IUPAC name is N-(cyclobutylmethyl)-N-(1-phenylethyl)-3-piperidin-4-ylbutanamide.

Molecular Properties

Compound NameN-(cyclobutylmethyl)-N-(1-phenylethyl)-3-piperidin-4-ylbutanamide
PubChem CID119799552
Molecular FormulaC22H34N2O
Molecular Weight342.53 g/mol
Exact Mass342.27
IUPAC NameN-(cyclobutylmethyl)-N-(1-phenylethyl)-3-piperidin-4-ylbutanamide
SMILESCC(CC(=O)N(CC1CCC1)C(C)c1ccccc1)C1CCNCC1
InChIInChI=1S/C22H34N2O/c1-17(20-11-13-23-14-12-20)15-22(25)24(16-19-7-6-8-19)18(2)21-9-4-3-5-10-21/h3-5,9-10,17-20,23H,6-8,11-16H2,1-2H3
InChIKeyWPHZUMDYNQFLMJ-UHFFFAOYSA-N
XLogP4.40
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.53
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-N-(cyclobutylmethyl)-3-piperidin-4-ylbutanamide;hydrochloride
CID 119752557
N-(cyclopropylmethyl)-N-phenyl-3-piperidin-4-ylbutanamide;hydrochloride
CID 119810163
4-amino-N-(cyclobutylmethyl)-N-(1-phenylethyl)butanamide
CID 119332711
4-amino-N-(cyclobutylmethyl)-N-(1-phenylethyl)butanamide;hydrochloride
CID 119332710
N-[(1-benzylpyrrolidin-3-yl)methyl]-N-methyl-3-piperidin-4-ylbutanamide
CID 119884980
N-cyclopentyl-N-(2-phenylethyl)-3-piperidin-4-ylbutanamide;hydrochloride
CID 119771595
N-(cyclobutylmethyl)-3-(2,5-dioxopyrrolidin-1-yl)-N-[(1S)-1-phenylethyl]propanamide
CID 95635301
N-(cyclobutylmethyl)-N-(1-phenylethyl)morpholine-2-carboxamide;hydrochloride
CID 119799553
N-(1-benzylpiperidin-3-yl)-N-methyl-3-piperidin-4-ylbutanamide;dihydrochloride
CID 119857579
N-methyl-N-[1-(4-methylphenyl)ethyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119717403
N-(3,3-diphenylpropyl)-3-piperidin-4-ylbutanamide;hydrochloride
CID 119675926
N-(2,3-dihydro-1H-inden-2-yl)-N-methyl-3-piperidin-4-ylbutanamide
CID 119746206

Frequently Asked Questions

What is the IUPAC name of N-(cyclobutylmethyl)-N-(1-phenylethyl)-3-piperidin-4-ylbutanamide?
The IUPAC name of N-(cyclobutylmethyl)-N-(1-phenylethyl)-3-piperidin-4-ylbutanamide (CID 119799552) is N-(cyclobutylmethyl)-N-(1-phenylethyl)-3-piperidin-4-ylbutanamide.
What is the SMILES notation for N-(cyclobutylmethyl)-N-(1-phenylethyl)-3-piperidin-4-ylbutanamide?
The canonical SMILES for N-(cyclobutylmethyl)-N-(1-phenylethyl)-3-piperidin-4-ylbutanamide is CC(CC(=O)N(CC1CCC1)C(C)c1ccccc1)C1CCNCC1.
What is the InChIKey of N-(cyclobutylmethyl)-N-(1-phenylethyl)-3-piperidin-4-ylbutanamide?
The InChIKey is WPHZUMDYNQFLMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N2O/c1-17(20-11-13-23-14-12-20)15-22(25)24(16-19-7-6-8-19)18(2)21-9-4-3-5-10-21/h3-5,9-10,17-20,23H,6-8,11-16H2,1-2H3.
What are the key properties of N-(cyclobutylmethyl)-N-(1-phenylethyl)-3-piperidin-4-ylbutanamide?
N-(cyclobutylmethyl)-N-(1-phenylethyl)-3-piperidin-4-ylbutanamide has a molecular weight of 342.53 g/mol, XLogP of 4.40, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclobutylmethyl)-N-(1-phenylethyl)-3-piperidin-4-ylbutanamide is sourced from PubChem (CID 119799552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).