2-[4-[(5-bromo-2-chlorophenyl)methylamino]piperidin-1-yl]-N-methylacetamide

C15H21BrClN3O — CID 103792554

IUPAC2-[4-[(5-bromo-2-chlorophenyl)methylamino]piperidin-1-yl]-N-methylacetamide
SMILESCNC(=O)CN1CCC(NCc2cc(Br)ccc2Cl)CC1
InChIInChI=1S/C15H21BrClN3O/c1-18-15(21)10-20-6-4-13(5-7-20)19-9-11-8-12(16)2-3-14(11)17/h2-3,8,13,19H,4-7,9-10H2,1H3,(H,18,21)
InChIKeyVFLYIEXCYXOQIB-UHFFFAOYSA-N
MW374.71 g/mol
LogP2.40
Rot. Bonds5

About 2-[4-[(5-bromo-2-chlorophenyl)methylamino]piperidin-1-yl]-N-methylacetamide

2-[4-[(5-bromo-2-chlorophenyl)methylamino]piperidin-1-yl]-N-methylacetamide (PubChem CID 103792554) has the molecular formula C15H21BrClN3O and a molecular weight of 374.71 g/mol. Its IUPAC name is 2-[4-[(5-bromo-2-chlorophenyl)methylamino]piperidin-1-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-[4-[(5-bromo-2-chlorophenyl)methylamino]piperidin-1-yl]-N-methylacetamide
PubChem CID103792554
Molecular FormulaC15H21BrClN3O
Molecular Weight374.71 g/mol
Exact Mass373.06
IUPAC Name2-[4-[(5-bromo-2-chlorophenyl)methylamino]piperidin-1-yl]-N-methylacetamide
SMILESCNC(=O)CN1CCC(NCc2cc(Br)ccc2Cl)CC1
InChIInChI=1S/C15H21BrClN3O/c1-18-15(21)10-20-6-4-13(5-7-20)19-9-11-8-12(16)2-3-14(11)17/h2-3,8,13,19H,4-7,9-10H2,1H3,(H,18,21)
InChIKeyVFLYIEXCYXOQIB-UHFFFAOYSA-N
XLogP2.40
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.71
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-[(5-bromo-2-chlorophenyl)methylamino]piperidin-1-yl]ethanone
CID 103792409
2-[4-[(2-bromophenyl)methylamino]piperidin-1-yl]-N-methylacetamide
CID 38056666
2-[4-[(4-bromo-3-methylphenyl)methylamino]piperidin-1-yl]-N-methylacetamide
CID 66472599
2-[4-(benzylamino)piperidin-1-yl]-N-methylacetamide
CID 38056640
N-[(5-bromo-2-chlorophenyl)methyl]cyclobutanamine
CID 103793012
N-methyl-2-[4-(naphthalen-1-ylmethylamino)piperidin-1-yl]acetamide;hydrochloride
CID 51079563
2-[4-[(4-bromo-5-methylthiophen-2-yl)methylamino]piperidin-1-yl]-N-methylacetamide
CID 102832453
2-[4-(furan-3-ylmethylamino)piperidin-1-yl]-N-methylacetamide
CID 63001894
N-[(5-bromo-2-chlorophenyl)methyl]oxan-4-amine
CID 115732123
2-[4-[[2-(4-bromo-2-methylphenyl)sulfanylacetyl]amino]piperidin-1-yl]-N-methylacetamide
CID 32522403
N-[(5-bromo-2-chlorophenyl)methyl]-4-methylsulfanylcyclohexan-1-amine
CID 114122570
N-methyl-2-[4-[[2-[methyl-(1-methylpiperidin-4-yl)amino]phenyl]methylamino]piperidin-1-yl]acetamide
CID 136514785

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(5-bromo-2-chlorophenyl)methylamino]piperidin-1-yl]-N-methylacetamide?
The IUPAC name of 2-[4-[(5-bromo-2-chlorophenyl)methylamino]piperidin-1-yl]-N-methylacetamide (CID 103792554) is 2-[4-[(5-bromo-2-chlorophenyl)methylamino]piperidin-1-yl]-N-methylacetamide.
What is the SMILES notation for 2-[4-[(5-bromo-2-chlorophenyl)methylamino]piperidin-1-yl]-N-methylacetamide?
The canonical SMILES for 2-[4-[(5-bromo-2-chlorophenyl)methylamino]piperidin-1-yl]-N-methylacetamide is CNC(=O)CN1CCC(NCc2cc(Br)ccc2Cl)CC1.
What is the InChIKey of 2-[4-[(5-bromo-2-chlorophenyl)methylamino]piperidin-1-yl]-N-methylacetamide?
The InChIKey is VFLYIEXCYXOQIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrClN3O/c1-18-15(21)10-20-6-4-13(5-7-20)19-9-11-8-12(16)2-3-14(11)17/h2-3,8,13,19H,4-7,9-10H2,1H3,(H,18,21).
What are the key properties of 2-[4-[(5-bromo-2-chlorophenyl)methylamino]piperidin-1-yl]-N-methylacetamide?
2-[4-[(5-bromo-2-chlorophenyl)methylamino]piperidin-1-yl]-N-methylacetamide has a molecular weight of 374.71 g/mol, XLogP of 2.40, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(5-bromo-2-chlorophenyl)methylamino]piperidin-1-yl]-N-methylacetamide is sourced from PubChem (CID 103792554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).