N-[1-(3-bromophenyl)ethyl]piperidine-3-carboxamide;hydrochloride

C14H20BrClN2O — CID 119285498

IUPACN-[1-(3-bromophenyl)ethyl]piperidine-3-carboxamide;hydrochloride
SMILESCC(NC(=O)C1CCCNC1)c1cccc(Br)c1.Cl
InChIInChI=1S/C14H19BrN2O.ClH/c1-10(11-4-2-6-13(15)8-11)17-14(18)12-5-3-7-16-9-12;/h2,4,6,8,10,12,16H,3,5,7,9H2,1H3,(H,17,18);1H
InChIKeyPYOHLDVVEXRHAL-UHFFFAOYSA-N
MW347.68 g/mol
LogP3.05
Rot. Bonds3

About N-[1-(3-bromophenyl)ethyl]piperidine-3-carboxamide;hydrochloride

N-[1-(3-bromophenyl)ethyl]piperidine-3-carboxamide;hydrochloride (PubChem CID 119285498) has the molecular formula C14H20BrClN2O and a molecular weight of 347.68 g/mol. Its IUPAC name is N-[1-(3-bromophenyl)ethyl]piperidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[1-(3-bromophenyl)ethyl]piperidine-3-carboxamide;hydrochloride
PubChem CID119285498
Molecular FormulaC14H20BrClN2O
Molecular Weight347.68 g/mol
Exact Mass346.04
IUPAC NameN-[1-(3-bromophenyl)ethyl]piperidine-3-carboxamide;hydrochloride
SMILESCC(NC(=O)C1CCCNC1)c1cccc(Br)c1.Cl
InChIInChI=1S/C14H19BrN2O.ClH/c1-10(11-4-2-6-13(15)8-11)17-14(18)12-5-3-7-16-9-12;/h2,4,6,8,10,12,16H,3,5,7,9H2,1H3,(H,17,18);1H
InChIKeyPYOHLDVVEXRHAL-UHFFFAOYSA-N
XLogP3.05
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.68
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-N-[1-(3-chlorophenyl)ethyl]piperidine-3-carboxamide
CID 81128625
N-[1-(3-chlorophenyl)ethyl]piperidine-3-carboxamide
CID 54913857
N-(1-phenylethyl)piperidine-3-carboxamide
CID 18071982
N-[1-(3-acetamidophenyl)ethyl]piperidine-3-carboxamide
CID 60981088
(3S)-N-[1-(3-propan-2-yloxyphenyl)ethyl]piperidine-3-carboxamide
CID 81119800
(2S)-N-[1-(3-bromophenyl)ethyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119285496
N-[1-(3-ethoxyphenyl)ethyl]piperidine-3-carboxamide
CID 119301559
N-[1-(3-bromophenyl)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119716419
N-[1-(4-propan-2-ylphenyl)ethyl]piperidine-3-carboxamide;hydrochloride
CID 119269407
N-(1-phenylethyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119669719
N-[1-(3-fluorophenyl)ethyl]pyrrolidine-3-carboxamide
CID 63005470
N-[(1S)-1-(3-bromophenyl)ethyl]-3-piperidin-3-ylpropanamide
CID 81375901

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-bromophenyl)ethyl]piperidine-3-carboxamide;hydrochloride?
The IUPAC name of N-[1-(3-bromophenyl)ethyl]piperidine-3-carboxamide;hydrochloride (CID 119285498) is N-[1-(3-bromophenyl)ethyl]piperidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[1-(3-bromophenyl)ethyl]piperidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-[1-(3-bromophenyl)ethyl]piperidine-3-carboxamide;hydrochloride is CC(NC(=O)C1CCCNC1)c1cccc(Br)c1.Cl.
What is the InChIKey of N-[1-(3-bromophenyl)ethyl]piperidine-3-carboxamide;hydrochloride?
The InChIKey is PYOHLDVVEXRHAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O.ClH/c1-10(11-4-2-6-13(15)8-11)17-14(18)12-5-3-7-16-9-12;/h2,4,6,8,10,12,16H,3,5,7,9H2,1H3,(H,17,18);1H.
What are the key properties of N-[1-(3-bromophenyl)ethyl]piperidine-3-carboxamide;hydrochloride?
N-[1-(3-bromophenyl)ethyl]piperidine-3-carboxamide;hydrochloride has a molecular weight of 347.68 g/mol, XLogP of 3.05, 3 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]piperidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119285498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).