1-[3-(methylamino)piperidin-1-yl]-2-[4-(2-methylpropyl)phenyl]ethanone

C18H28N2O — CID 119491030

IUPAC1-[3-(methylamino)piperidin-1-yl]-2-[4-(2-methylpropyl)phenyl]ethanone
SMILESCNC1CCCN(C(=O)Cc2ccc(CC(C)C)cc2)C1
InChIInChI=1S/C18H28N2O/c1-14(2)11-15-6-8-16(9-7-15)12-18(21)20-10-4-5-17(13-20)19-3/h6-9,14,17,19H,4-5,10-13H2,1-3H3
InChIKeyGIKOUTIXFACMKC-UHFFFAOYSA-N
MW288.44 g/mol
LogP2.64
Rot. Bonds5

About 1-[3-(methylamino)piperidin-1-yl]-2-[4-(2-methylpropyl)phenyl]ethanone

1-[3-(methylamino)piperidin-1-yl]-2-[4-(2-methylpropyl)phenyl]ethanone (PubChem CID 119491030) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is 1-[3-(methylamino)piperidin-1-yl]-2-[4-(2-methylpropyl)phenyl]ethanone.

Molecular Properties

Compound Name1-[3-(methylamino)piperidin-1-yl]-2-[4-(2-methylpropyl)phenyl]ethanone
PubChem CID119491030
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC Name1-[3-(methylamino)piperidin-1-yl]-2-[4-(2-methylpropyl)phenyl]ethanone
SMILESCNC1CCCN(C(=O)Cc2ccc(CC(C)C)cc2)C1
InChIInChI=1S/C18H28N2O/c1-14(2)11-15-6-8-16(9-7-15)12-18(21)20-10-4-5-17(13-20)19-3/h6-9,14,17,19H,4-5,10-13H2,1-3H3
InChIKeyGIKOUTIXFACMKC-UHFFFAOYSA-N
XLogP2.64
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 ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-(methylamino)piperidin-1-yl]-2-[4-(2-methylpropyl)phenyl]ethanone;hydrochloride
CID 119491029
1-[3-(1-aminoethyl)piperidin-1-yl]-2-[4-(2-methylpropyl)phenyl]ethanone;hydrochloride
CID 119595026
1-[3-(methylamino)piperidin-1-yl]-2-(4-piperidin-1-ylsulfonylphenyl)ethanone;hydrochloride
CID 119489160
2-methyl-N-[1-(2-phenylacetyl)piperidin-3-yl]propanamide
CID 127187955
2-(2-hydroxyphenyl)-1-[3-(methylamino)piperidin-1-yl]ethanone
CID 80740895
1-[(3S)-3-(methylamino)piperidin-1-yl]-2-(2-propan-2-yloxyphenyl)ethanone
CID 124574868
2-[4-(2-methylpropyl)phenyl]-1-[3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)piperidin-1-yl]ethanone
CID 134003141
2-(2-bromophenyl)-1-[3-(methylamino)piperidin-1-yl]ethanone
CID 83749694
1-[2-[4-(2-methylpropyl)phenyl]acetyl]piperidine-4-carboxamide
CID 51218966
2-[4-(2-methylpropyl)phenyl]-1-piperazin-1-ylethanone
CID 82132922
3-(4-bromophenyl)-1-[3-(methylamino)piperidin-1-yl]propan-1-one
CID 119492298
1-[(3S)-3-(methylamino)piperidin-1-yl]propan-1-one
CID 94475711

Frequently Asked Questions

What is the IUPAC name of 1-[3-(methylamino)piperidin-1-yl]-2-[4-(2-methylpropyl)phenyl]ethanone?
The IUPAC name of 1-[3-(methylamino)piperidin-1-yl]-2-[4-(2-methylpropyl)phenyl]ethanone (CID 119491030) is 1-[3-(methylamino)piperidin-1-yl]-2-[4-(2-methylpropyl)phenyl]ethanone.
What is the SMILES notation for 1-[3-(methylamino)piperidin-1-yl]-2-[4-(2-methylpropyl)phenyl]ethanone?
The canonical SMILES for 1-[3-(methylamino)piperidin-1-yl]-2-[4-(2-methylpropyl)phenyl]ethanone is CNC1CCCN(C(=O)Cc2ccc(CC(C)C)cc2)C1.
What is the InChIKey of 1-[3-(methylamino)piperidin-1-yl]-2-[4-(2-methylpropyl)phenyl]ethanone?
The InChIKey is GIKOUTIXFACMKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-14(2)11-15-6-8-16(9-7-15)12-18(21)20-10-4-5-17(13-20)19-3/h6-9,14,17,19H,4-5,10-13H2,1-3H3.
What are the key properties of 1-[3-(methylamino)piperidin-1-yl]-2-[4-(2-methylpropyl)phenyl]ethanone?
1-[3-(methylamino)piperidin-1-yl]-2-[4-(2-methylpropyl)phenyl]ethanone has a molecular weight of 288.44 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(methylamino)piperidin-1-yl]-2-[4-(2-methylpropyl)phenyl]ethanone is sourced from PubChem (CID 119491030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).