N-[1-(3-bromophenyl)ethyl]-2-piperidin-4-ylacetamide;hydrochloride

C15H22BrClN2O — CID 119716420

IUPACN-[1-(3-bromophenyl)ethyl]-2-piperidin-4-ylacetamide;hydrochloride
SMILESCC(NC(=O)CC1CCNCC1)c1cccc(Br)c1.Cl
InChIInChI=1S/C15H21BrN2O.ClH/c1-11(13-3-2-4-14(16)10-13)18-15(19)9-12-5-7-17-8-6-12;/h2-4,10-12,17H,5-9H2,1H3,(H,18,19);1H
InChIKeyYEMHFWPJEAFYLH-UHFFFAOYSA-N
MW361.71 g/mol
LogP3.44
Rot. Bonds4

About N-[1-(3-bromophenyl)ethyl]-2-piperidin-4-ylacetamide;hydrochloride

N-[1-(3-bromophenyl)ethyl]-2-piperidin-4-ylacetamide;hydrochloride (PubChem CID 119716420) has the molecular formula C15H22BrClN2O and a molecular weight of 361.71 g/mol. Its IUPAC name is N-[1-(3-bromophenyl)ethyl]-2-piperidin-4-ylacetamide;hydrochloride.

Molecular Properties

Compound NameN-[1-(3-bromophenyl)ethyl]-2-piperidin-4-ylacetamide;hydrochloride
PubChem CID119716420
Molecular FormulaC15H22BrClN2O
Molecular Weight361.71 g/mol
Exact Mass360.06
IUPAC NameN-[1-(3-bromophenyl)ethyl]-2-piperidin-4-ylacetamide;hydrochloride
SMILESCC(NC(=O)CC1CCNCC1)c1cccc(Br)c1.Cl
InChIInChI=1S/C15H21BrN2O.ClH/c1-11(13-3-2-4-14(16)10-13)18-15(19)9-12-5-7-17-8-6-12;/h2-4,10-12,17H,5-9H2,1H3,(H,18,19);1H
InChIKeyYEMHFWPJEAFYLH-UHFFFAOYSA-N
XLogP3.44
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.71
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1R)-1-(3-bromophenyl)ethyl]-2-piperidin-4-ylsulfanylacetamide
CID 104940419
N-[(1R)-1-(4-bromophenyl)ethyl]-2-piperidin-4-ylacetamide
CID 81359105
2-piperidin-4-yl-N-[1-(4-propan-2-ylphenyl)ethyl]acetamide;hydrochloride
CID 119686100
N-[1-(3,4-dichlorophenyl)ethyl]-2-piperidin-4-ylacetamide;hydrochloride
CID 119686006
2-piperidin-4-yl-N-[1-(4-propan-2-ylphenyl)ethyl]acetamide
CID 61030445
N-[(1R)-1-(3-bromophenyl)ethyl]-2-piperazin-1-ylacetamide
CID 81376325
N-[(1S)-1-(3-bromophenyl)ethyl]-2-morpholin-2-ylacetamide
CID 81376334
N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-piperidin-4-ylacetamide;hydrochloride
CID 119699865
N-[(1S)-1-(3-bromophenyl)ethyl]-3-piperidin-3-ylpropanamide
CID 81375901
N-[(1R)-1-(4-chlorophenyl)ethyl]-2-piperidin-4-ylacetamide
CID 81354394
N-[(1S)-1-(4-chlorophenyl)ethyl]-2-piperidin-4-ylacetamide
CID 81354078
N-[1-(3-bromophenyl)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119716419

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-bromophenyl)ethyl]-2-piperidin-4-ylacetamide;hydrochloride?
The IUPAC name of N-[1-(3-bromophenyl)ethyl]-2-piperidin-4-ylacetamide;hydrochloride (CID 119716420) is N-[1-(3-bromophenyl)ethyl]-2-piperidin-4-ylacetamide;hydrochloride.
What is the SMILES notation for N-[1-(3-bromophenyl)ethyl]-2-piperidin-4-ylacetamide;hydrochloride?
The canonical SMILES for N-[1-(3-bromophenyl)ethyl]-2-piperidin-4-ylacetamide;hydrochloride is CC(NC(=O)CC1CCNCC1)c1cccc(Br)c1.Cl.
What is the InChIKey of N-[1-(3-bromophenyl)ethyl]-2-piperidin-4-ylacetamide;hydrochloride?
The InChIKey is YEMHFWPJEAFYLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2O.ClH/c1-11(13-3-2-4-14(16)10-13)18-15(19)9-12-5-7-17-8-6-12;/h2-4,10-12,17H,5-9H2,1H3,(H,18,19);1H.
What are the key properties of N-[1-(3-bromophenyl)ethyl]-2-piperidin-4-ylacetamide;hydrochloride?
N-[1-(3-bromophenyl)ethyl]-2-piperidin-4-ylacetamide;hydrochloride has a molecular weight of 361.71 g/mol, XLogP of 3.44, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-bromophenyl)ethyl]-2-piperidin-4-ylacetamide;hydrochloride is sourced from PubChem (CID 119716420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).