N-(3-bromophenyl)-3-piperidin-1-ylpropanamide;hydrochloride

C14H20BrClN2O — CID 17386732

IUPACN-(3-bromophenyl)-3-piperidin-1-ylpropanamide;hydrochloride
SMILESCl.O=C(CCN1CCCCC1)Nc1cccc(Br)c1
InChIInChI=1S/C14H19BrN2O.ClH/c15-12-5-4-6-13(11-12)16-14(18)7-10-17-8-2-1-3-9-17;/h4-6,11H,1-3,7-10H2,(H,16,18);1H
InChIKeyIEDVLVGYGVIZEL-UHFFFAOYSA-N
MW347.68 g/mol
LogP3.69
Rot. Bonds4

About N-(3-bromophenyl)-3-piperidin-1-ylpropanamide;hydrochloride

N-(3-bromophenyl)-3-piperidin-1-ylpropanamide;hydrochloride (PubChem CID 17386732) has the molecular formula C14H20BrClN2O and a molecular weight of 347.68 g/mol. Its IUPAC name is N-(3-bromophenyl)-3-piperidin-1-ylpropanamide;hydrochloride.

Molecular Properties

Compound NameN-(3-bromophenyl)-3-piperidin-1-ylpropanamide;hydrochloride
PubChem CID17386732
Molecular FormulaC14H20BrClN2O
Molecular Weight347.68 g/mol
Exact Mass346.04
IUPAC NameN-(3-bromophenyl)-3-piperidin-1-ylpropanamide;hydrochloride
SMILESCl.O=C(CCN1CCCCC1)Nc1cccc(Br)c1
InChIInChI=1S/C14H19BrN2O.ClH/c15-12-5-4-6-13(11-12)16-14(18)7-10-17-8-2-1-3-9-17;/h4-6,11H,1-3,7-10H2,(H,16,18);1H
InChIKeyIEDVLVGYGVIZEL-UHFFFAOYSA-N
XLogP3.69
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.68
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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N-(3-bromophenyl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]propanamide
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N-(4-bromophenyl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]propanamide
CID 1149581
1-(3-bromophenyl)pyrimidine-2,4,6(1H,3H,5H)-trione
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CID 68839
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Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-3-piperidin-1-ylpropanamide;hydrochloride?
The IUPAC name of N-(3-bromophenyl)-3-piperidin-1-ylpropanamide;hydrochloride (CID 17386732) is N-(3-bromophenyl)-3-piperidin-1-ylpropanamide;hydrochloride.
What is the SMILES notation for N-(3-bromophenyl)-3-piperidin-1-ylpropanamide;hydrochloride?
The canonical SMILES for N-(3-bromophenyl)-3-piperidin-1-ylpropanamide;hydrochloride is Cl.O=C(CCN1CCCCC1)Nc1cccc(Br)c1.
What is the InChIKey of N-(3-bromophenyl)-3-piperidin-1-ylpropanamide;hydrochloride?
The InChIKey is IEDVLVGYGVIZEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O.ClH/c15-12-5-4-6-13(11-12)16-14(18)7-10-17-8-2-1-3-9-17;/h4-6,11H,1-3,7-10H2,(H,16,18);1H.
What are the key properties of N-(3-bromophenyl)-3-piperidin-1-ylpropanamide;hydrochloride?
N-(3-bromophenyl)-3-piperidin-1-ylpropanamide;hydrochloride has a molecular weight of 347.68 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-3-piperidin-1-ylpropanamide;hydrochloride is sourced from PubChem (CID 17386732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).