1-[3-(3-methylbutylamino)-5-phenylpiperidin-1-yl]ethanone

C18H28N2O — CID 83995765

IUPAC1-[3-(3-methylbutylamino)-5-phenylpiperidin-1-yl]ethanone
SMILESCC(=O)N1CC(NCCC(C)C)CC(c2ccccc2)C1
InChIInChI=1S/C18H28N2O/c1-14(2)9-10-19-18-11-17(12-20(13-18)15(3)21)16-7-5-4-6-8-16/h4-8,14,17-19H,9-13H2,1-3H3
InChIKeyFYBQUDNYVXWHSJ-UHFFFAOYSA-N
MW288.44 g/mol
LogP3.03
Rot. Bonds5

About 1-[3-(3-methylbutylamino)-5-phenylpiperidin-1-yl]ethanone

1-[3-(3-methylbutylamino)-5-phenylpiperidin-1-yl]ethanone (PubChem CID 83995765) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is 1-[3-(3-methylbutylamino)-5-phenylpiperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[3-(3-methylbutylamino)-5-phenylpiperidin-1-yl]ethanone
PubChem CID83995765
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC Name1-[3-(3-methylbutylamino)-5-phenylpiperidin-1-yl]ethanone
SMILESCC(=O)N1CC(NCCC(C)C)CC(c2ccccc2)C1
InChIInChI=1S/C18H28N2O/c1-14(2)9-10-19-18-11-17(12-20(13-18)15(3)21)16-7-5-4-6-8-16/h4-8,14,17-19H,9-13H2,1-3H3
InChIKeyFYBQUDNYVXWHSJ-UHFFFAOYSA-N
XLogP3.03
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

tert-butyl N-(1-acetyl-5-phenylpiperidin-3-yl)carbamate
CID 112544487
2-methyl-N-(3-phenylcyclobutyl)propanamide
CID 166834731
N-(3-methylbutyl)-3-(4-methylphenyl)cyclobutan-1-amine
CID 43633229
1-[3-(benzylamino)-5-(2,2,2-trifluoroethyl)piperidin-1-yl]ethanone
CID 83993688
N-[2-[(3-phenylcyclobutyl)amino]ethyl]acetamide
CID 43632255
1-[4-[(3-phenylcyclobutyl)amino]piperidin-1-yl]ethanone
CID 43745998
4-methyl-1-(3-phenylpyrrolidin-1-yl)pentan-1-one
CID 60605253
2-methyl-N-[2-[(4-phenylcyclohexyl)amino]ethyl]propanamide
CID 28650865
3-(cyclopropylamino)-5-phenylpiperidine-1-carboxamide
CID 83991625
1-[3-(benzylamino)piperidin-1-yl]ethanone
CID 83993665
1-(2-methyl-4-phenylpyrrolidin-1-yl)ethanone
CID 15365754
N-(cyclohexylmethyl)-5-phenyl-1-propan-2-ylpiperidin-3-amine
CID 83998453

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-methylbutylamino)-5-phenylpiperidin-1-yl]ethanone?
The IUPAC name of 1-[3-(3-methylbutylamino)-5-phenylpiperidin-1-yl]ethanone (CID 83995765) is 1-[3-(3-methylbutylamino)-5-phenylpiperidin-1-yl]ethanone.
What is the SMILES notation for 1-[3-(3-methylbutylamino)-5-phenylpiperidin-1-yl]ethanone?
The canonical SMILES for 1-[3-(3-methylbutylamino)-5-phenylpiperidin-1-yl]ethanone is CC(=O)N1CC(NCCC(C)C)CC(c2ccccc2)C1.
What is the InChIKey of 1-[3-(3-methylbutylamino)-5-phenylpiperidin-1-yl]ethanone?
The InChIKey is FYBQUDNYVXWHSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-14(2)9-10-19-18-11-17(12-20(13-18)15(3)21)16-7-5-4-6-8-16/h4-8,14,17-19H,9-13H2,1-3H3.
What are the key properties of 1-[3-(3-methylbutylamino)-5-phenylpiperidin-1-yl]ethanone?
1-[3-(3-methylbutylamino)-5-phenylpiperidin-1-yl]ethanone has a molecular weight of 288.44 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-methylbutylamino)-5-phenylpiperidin-1-yl]ethanone is sourced from PubChem (CID 83995765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).