3-amino-N-[[1-[(2-bromophenyl)methyl]piperidin-2-yl]methyl]propanamide;hydrochloride

C16H25BrClN3O — CID 120581348

IUPAC3-amino-N-[[1-[(2-bromophenyl)methyl]piperidin-2-yl]methyl]propanamide;hydrochloride
SMILESCl.NCCC(=O)NCC1CCCCN1Cc1ccccc1Br
InChIInChI=1S/C16H24BrN3O.ClH/c17-15-7-2-1-5-13(15)12-20-10-4-3-6-14(20)11-19-16(21)8-9-18;/h1-2,5,7,14H,3-4,6,8-12,18H2,(H,19,21);1H
InChIKeyUSKGDEUAWMCUGT-UHFFFAOYSA-N
MW390.75 g/mol
LogP2.69
Rot. Bonds6

About 3-amino-N-[[1-[(2-bromophenyl)methyl]piperidin-2-yl]methyl]propanamide;hydrochloride

3-amino-N-[[1-[(2-bromophenyl)methyl]piperidin-2-yl]methyl]propanamide;hydrochloride (PubChem CID 120581348) has the molecular formula C16H25BrClN3O and a molecular weight of 390.75 g/mol. Its IUPAC name is 3-amino-N-[[1-[(2-bromophenyl)methyl]piperidin-2-yl]methyl]propanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[[1-[(2-bromophenyl)methyl]piperidin-2-yl]methyl]propanamide;hydrochloride
PubChem CID120581348
Molecular FormulaC16H25BrClN3O
Molecular Weight390.75 g/mol
Exact Mass389.09
IUPAC Name3-amino-N-[[1-[(2-bromophenyl)methyl]piperidin-2-yl]methyl]propanamide;hydrochloride
SMILESCl.NCCC(=O)NCC1CCCCN1Cc1ccccc1Br
InChIInChI=1S/C16H24BrN3O.ClH/c17-15-7-2-1-5-13(15)12-20-10-4-3-6-14(20)11-19-16(21)8-9-18;/h1-2,5,7,14H,3-4,6,8-12,18H2,(H,19,21);1H
InChIKeyUSKGDEUAWMCUGT-UHFFFAOYSA-N
XLogP2.69
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.75
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[[1-[(3-chloro-2-fluorophenyl)methyl]piperidin-2-yl]methyl]propanamide
CID 120910902
3-amino-N-[[1-[(2,5-difluorophenyl)methyl]piperidin-2-yl]methyl]propanamide;hydrochloride
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3-amino-N-[[1-[(3-hydroxy-2-methoxyphenyl)methyl]piperidin-2-yl]methyl]propanamide
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3-amino-N-[[1-[(4-bromo-1-methylpyrazol-5-yl)methyl]piperidin-2-yl]methyl]propanamide;hydrochloride
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3-amino-N-[[1-[(5-bromo-2-methoxyphenyl)methyl]piperidin-2-yl]methyl]propanamide
CID 120581253
3-amino-N-[[1-(thiophen-2-ylmethyl)piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120911439
3-amino-N-[[1-(thiophen-3-ylmethyl)piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120910961
3-amino-N-[[1-(naphthalen-2-ylmethyl)piperidin-2-yl]methyl]propanamide
CID 120581409
3-amino-N-[[1-[(2,4-dimethoxyphenyl)methyl]piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120911553
3-amino-N-[[1-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120911091
3-amino-N-[[1-[(3-methyl-1-phenylpyrazol-4-yl)methyl]piperidin-2-yl]methyl]propanamide
CID 120911236
3-amino-N-[[1-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]piperidin-2-yl]methyl]propanamide
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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[[1-[(2-bromophenyl)methyl]piperidin-2-yl]methyl]propanamide;hydrochloride?
The IUPAC name of 3-amino-N-[[1-[(2-bromophenyl)methyl]piperidin-2-yl]methyl]propanamide;hydrochloride (CID 120581348) is 3-amino-N-[[1-[(2-bromophenyl)methyl]piperidin-2-yl]methyl]propanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[[1-[(2-bromophenyl)methyl]piperidin-2-yl]methyl]propanamide;hydrochloride?
The canonical SMILES for 3-amino-N-[[1-[(2-bromophenyl)methyl]piperidin-2-yl]methyl]propanamide;hydrochloride is Cl.NCCC(=O)NCC1CCCCN1Cc1ccccc1Br.
What is the InChIKey of 3-amino-N-[[1-[(2-bromophenyl)methyl]piperidin-2-yl]methyl]propanamide;hydrochloride?
The InChIKey is USKGDEUAWMCUGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrN3O.ClH/c17-15-7-2-1-5-13(15)12-20-10-4-3-6-14(20)11-19-16(21)8-9-18;/h1-2,5,7,14H,3-4,6,8-12,18H2,(H,19,21);1H.
What are the key properties of 3-amino-N-[[1-[(2-bromophenyl)methyl]piperidin-2-yl]methyl]propanamide;hydrochloride?
3-amino-N-[[1-[(2-bromophenyl)methyl]piperidin-2-yl]methyl]propanamide;hydrochloride has a molecular weight of 390.75 g/mol, XLogP of 2.69, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[[1-[(2-bromophenyl)methyl]piperidin-2-yl]methyl]propanamide;hydrochloride is sourced from PubChem (CID 120581348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).