3-(2-bromophenoxy)-N-piperidin-4-ylpropanamide;hydrochloride

C14H20BrClN2O2 — CID 119385928

IUPAC3-(2-bromophenoxy)-N-piperidin-4-ylpropanamide;hydrochloride
SMILESCl.O=C(CCOc1ccccc1Br)NC1CCNCC1
InChIInChI=1S/C14H19BrN2O2.ClH/c15-12-3-1-2-4-13(12)19-10-7-14(18)17-11-5-8-16-9-6-11;/h1-4,11,16H,5-10H2,(H,17,18);1H
InChIKeyHMOLDHRLIZRHEU-UHFFFAOYSA-N
MW363.68 g/mol
LogP2.51
Rot. Bonds5

About 3-(2-bromophenoxy)-N-piperidin-4-ylpropanamide;hydrochloride

3-(2-bromophenoxy)-N-piperidin-4-ylpropanamide;hydrochloride (PubChem CID 119385928) has the molecular formula C14H20BrClN2O2 and a molecular weight of 363.68 g/mol. Its IUPAC name is 3-(2-bromophenoxy)-N-piperidin-4-ylpropanamide;hydrochloride.

Molecular Properties

Compound Name3-(2-bromophenoxy)-N-piperidin-4-ylpropanamide;hydrochloride
PubChem CID119385928
Molecular FormulaC14H20BrClN2O2
Molecular Weight363.68 g/mol
Exact Mass362.04
IUPAC Name3-(2-bromophenoxy)-N-piperidin-4-ylpropanamide;hydrochloride
SMILESCl.O=C(CCOc1ccccc1Br)NC1CCNCC1
InChIInChI=1S/C14H19BrN2O2.ClH/c15-12-3-1-2-4-13(12)19-10-7-14(18)17-11-5-8-16-9-6-11;/h1-4,11,16H,5-10H2,(H,17,18);1H
InChIKeyHMOLDHRLIZRHEU-UHFFFAOYSA-N
XLogP2.51
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.68
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-nitrophenoxy)-N-piperidin-4-ylpropanamide
CID 119388489
4-naphthalen-1-yloxy-N-piperidin-4-ylbutanamide
CID 119390244
3-(2,3-dimethylphenoxy)-N-pyrrolidin-3-ylpropanamide;hydrochloride
CID 119454143
2-(2-chlorophenoxy)-N-piperidin-4-ylacetamide;hydrochloride
CID 119388216
3-(2-bromophenoxy)propanehydrazide
CID 61059905
2-[2-[3-(cyclopropylamino)-3-oxopropoxy]phenyl]acetic acid
CID 80740402
3-(2-aminophenoxy)-N-cyclohexylpropanamide
CID 54915855
3-[3-oxo-3-(piperidin-4-ylamino)propoxy]benzamide;hydrochloride
CID 119390379
4-(2-bromophenoxy)-N-[1-(2,2-difluoroethyl)piperidin-4-yl]butanamide
CID 49072721
2-(2-fluorophenoxy)-N-piperidin-4-ylacetamide
CID 110488066
4-(4-fluorophenoxy)-N-piperidin-4-ylbutanamide
CID 110464778
2-(2-methoxyphenoxy)-N-piperidin-4-ylacetamide
CID 28810945

Frequently Asked Questions

What is the IUPAC name of 3-(2-bromophenoxy)-N-piperidin-4-ylpropanamide;hydrochloride?
The IUPAC name of 3-(2-bromophenoxy)-N-piperidin-4-ylpropanamide;hydrochloride (CID 119385928) is 3-(2-bromophenoxy)-N-piperidin-4-ylpropanamide;hydrochloride.
What is the SMILES notation for 3-(2-bromophenoxy)-N-piperidin-4-ylpropanamide;hydrochloride?
The canonical SMILES for 3-(2-bromophenoxy)-N-piperidin-4-ylpropanamide;hydrochloride is Cl.O=C(CCOc1ccccc1Br)NC1CCNCC1.
What is the InChIKey of 3-(2-bromophenoxy)-N-piperidin-4-ylpropanamide;hydrochloride?
The InChIKey is HMOLDHRLIZRHEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O2.ClH/c15-12-3-1-2-4-13(12)19-10-7-14(18)17-11-5-8-16-9-6-11;/h1-4,11,16H,5-10H2,(H,17,18);1H.
What are the key properties of 3-(2-bromophenoxy)-N-piperidin-4-ylpropanamide;hydrochloride?
3-(2-bromophenoxy)-N-piperidin-4-ylpropanamide;hydrochloride has a molecular weight of 363.68 g/mol, XLogP of 2.51, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromophenoxy)-N-piperidin-4-ylpropanamide;hydrochloride is sourced from PubChem (CID 119385928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).