3-(4-bromo-3-methylphenyl)-1-[4-(cyclopropylmethylamino)piperidin-1-yl]propan-1-one

C19H27BrN2O — CID 119623061

IUPAC3-(4-bromo-3-methylphenyl)-1-[4-(cyclopropylmethylamino)piperidin-1-yl]propan-1-one
SMILESCc1cc(CCC(=O)N2CCC(NCC3CC3)CC2)ccc1Br
InChIInChI=1S/C19H27BrN2O/c1-14-12-15(4-6-18(14)20)5-7-19(23)22-10-8-17(9-11-22)21-13-16-2-3-16/h4,6,12,16-17,21H,2-3,5,7-11,13H2,1H3
InChIKeyDEWPEDWNBBPBLO-UHFFFAOYSA-N
MW379.34 g/mol
LogP3.68
Rot. Bonds6

About 3-(4-bromo-3-methylphenyl)-1-[4-(cyclopropylmethylamino)piperidin-1-yl]propan-1-one

3-(4-bromo-3-methylphenyl)-1-[4-(cyclopropylmethylamino)piperidin-1-yl]propan-1-one (PubChem CID 119623061) has the molecular formula C19H27BrN2O and a molecular weight of 379.34 g/mol. Its IUPAC name is 3-(4-bromo-3-methylphenyl)-1-[4-(cyclopropylmethylamino)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-(4-bromo-3-methylphenyl)-1-[4-(cyclopropylmethylamino)piperidin-1-yl]propan-1-one
PubChem CID119623061
Molecular FormulaC19H27BrN2O
Molecular Weight379.34 g/mol
Exact Mass378.13
IUPAC Name3-(4-bromo-3-methylphenyl)-1-[4-(cyclopropylmethylamino)piperidin-1-yl]propan-1-one
SMILESCc1cc(CCC(=O)N2CCC(NCC3CC3)CC2)ccc1Br
InChIInChI=1S/C19H27BrN2O/c1-14-12-15(4-6-18(14)20)5-7-19(23)22-10-8-17(9-11-22)21-13-16-2-3-16/h4,6,12,16-17,21H,2-3,5,7-11,13H2,1H3
InChIKeyDEWPEDWNBBPBLO-UHFFFAOYSA-N
XLogP3.68
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.34
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(4-bromo-3-methylphenyl)-1-[4-(cyclopropylmethylamino)piperidin-1-yl]propan-1-one with MolForge

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Related Compounds

3-(3-bromophenyl)-1-[4-(cyclopropylmethylamino)piperidin-1-yl]propan-1-one;hydrochloride
CID 119623707
4-[3-[4-(cyclopropylmethylamino)piperidin-1-yl]-3-oxopropyl]-N-methylbenzenesulfonamide
CID 119624651
1-[4-(cyclopropylmethylamino)piperidin-1-yl]-3-(3,4,5-trimethoxyphenyl)propan-1-one
CID 119622600
2-(4-bromophenyl)-1-[4-(cyclopropylmethylamino)piperidin-1-yl]ethanone;hydrochloride
CID 119623627
methyl 1-[3-(3,4-dimethylphenyl)propanoyl]piperidine-4-carboxylate
CID 100539386
(2S)-1-[3-(4-bromo-3-methylphenyl)propanoyl]pyrrolidine-2-carboxamide
CID 96570083
1-[4-(cyclopropylmethylamino)piperidin-1-yl]-4-(3,4-dimethylphenoxy)butan-1-one;hydrochloride
CID 119625531
1-[4-(cyclopropylmethylamino)piperidin-1-yl]-6-(4-methoxyphenyl)hexan-1-one;hydrochloride
CID 119622930
2-(3-bromophenyl)-1-[4-(cyclopropylmethylamino)piperidin-1-yl]ethanone;hydrochloride
CID 119623852
3-(3-bromophenoxy)-1-[4-(cyclopropylmethylamino)piperidin-1-yl]propan-1-one
CID 119622818
4-(5-bromothiophen-2-yl)-1-[4-(cyclopropylmethylamino)piperidin-1-yl]butan-1-one;hydrochloride
CID 119625072
(5-chlorofuran-2-yl)-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone
CID 81483493

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromo-3-methylphenyl)-1-[4-(cyclopropylmethylamino)piperidin-1-yl]propan-1-one?
The IUPAC name of 3-(4-bromo-3-methylphenyl)-1-[4-(cyclopropylmethylamino)piperidin-1-yl]propan-1-one (CID 119623061) is 3-(4-bromo-3-methylphenyl)-1-[4-(cyclopropylmethylamino)piperidin-1-yl]propan-1-one.
What is the SMILES notation for 3-(4-bromo-3-methylphenyl)-1-[4-(cyclopropylmethylamino)piperidin-1-yl]propan-1-one?
The canonical SMILES for 3-(4-bromo-3-methylphenyl)-1-[4-(cyclopropylmethylamino)piperidin-1-yl]propan-1-one is Cc1cc(CCC(=O)N2CCC(NCC3CC3)CC2)ccc1Br.
What is the InChIKey of 3-(4-bromo-3-methylphenyl)-1-[4-(cyclopropylmethylamino)piperidin-1-yl]propan-1-one?
The InChIKey is DEWPEDWNBBPBLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27BrN2O/c1-14-12-15(4-6-18(14)20)5-7-19(23)22-10-8-17(9-11-22)21-13-16-2-3-16/h4,6,12,16-17,21H,2-3,5,7-11,13H2,1H3.
What are the key properties of 3-(4-bromo-3-methylphenyl)-1-[4-(cyclopropylmethylamino)piperidin-1-yl]propan-1-one?
3-(4-bromo-3-methylphenyl)-1-[4-(cyclopropylmethylamino)piperidin-1-yl]propan-1-one has a molecular weight of 379.34 g/mol, XLogP of 3.68, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromo-3-methylphenyl)-1-[4-(cyclopropylmethylamino)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 119623061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).