N-(3-bromo-5-propan-2-yloxyphenyl)piperidine-4-carboxamide

C15H21BrN2O2 — CID 119344106

IUPACN-(3-bromo-5-propan-2-yloxyphenyl)piperidine-4-carboxamide
SMILESCC(C)Oc1cc(Br)cc(NC(=O)C2CCNCC2)c1
InChIInChI=1S/C15H21BrN2O2/c1-10(2)20-14-8-12(16)7-13(9-14)18-15(19)11-3-5-17-6-4-11/h7-11,17H,3-6H2,1-2H3,(H,18,19)
InChIKeyOUSFSCDHZXZTRQ-UHFFFAOYSA-N
MW341.25 g/mol
LogP3.17
Rot. Bonds4

About N-(3-bromo-5-propan-2-yloxyphenyl)piperidine-4-carboxamide

N-(3-bromo-5-propan-2-yloxyphenyl)piperidine-4-carboxamide (PubChem CID 119344106) has the molecular formula C15H21BrN2O2 and a molecular weight of 341.25 g/mol. Its IUPAC name is N-(3-bromo-5-propan-2-yloxyphenyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-bromo-5-propan-2-yloxyphenyl)piperidine-4-carboxamide
PubChem CID119344106
Molecular FormulaC15H21BrN2O2
Molecular Weight341.25 g/mol
Exact Mass340.08
IUPAC NameN-(3-bromo-5-propan-2-yloxyphenyl)piperidine-4-carboxamide
SMILESCC(C)Oc1cc(Br)cc(NC(=O)C2CCNCC2)c1
InChIInChI=1S/C15H21BrN2O2/c1-10(2)20-14-8-12(16)7-13(9-14)18-15(19)11-3-5-17-6-4-11/h7-11,17H,3-6H2,1-2H3,(H,18,19)
InChIKeyOUSFSCDHZXZTRQ-UHFFFAOYSA-N
XLogP3.17
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.25
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-bromo-5-propan-2-yloxyphenyl)morpholine-2-carboxamide
CID 119819637
N-(3-methyl-4-propan-2-yloxyphenyl)piperidine-4-carboxamide
CID 98034216
2-amino-N-(3-bromo-5-propan-2-yloxyphenyl)-2-(oxan-4-yl)acetamide
CID 120796352
N-(2-fluoro-4-propan-2-yloxyphenyl)piperidine-4-carboxamide;hydrochloride
CID 119308648
N-(2-propan-2-yloxyphenyl)piperidine-4-carboxamide;hydrochloride
CID 119284707
3-[(3-bromo-5-methoxyphenyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 103551077
N-(3-bromo-5-methylphenyl)cyclopentanecarboxamide
CID 110604732
N-[4-(2-methylpropanoylamino)phenyl]piperidine-4-carboxamide;hydrochloride
CID 119268961
N-(3,5-difluorophenyl)piperidine-4-carboxamide
CID 18072624
N-(3-bromo-5-methoxyphenyl)-2-piperidin-4-yloxyacetamide
CID 82867239
(2S)-N-(3-bromo-5-methoxyphenyl)pyrrolidine-2-carboxamide
CID 82867240
N-[(4-propan-2-yloxyphenyl)methyl]piperidine-4-carboxamide;hydrochloride
CID 119280596

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-5-propan-2-yloxyphenyl)piperidine-4-carboxamide?
The IUPAC name of N-(3-bromo-5-propan-2-yloxyphenyl)piperidine-4-carboxamide (CID 119344106) is N-(3-bromo-5-propan-2-yloxyphenyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(3-bromo-5-propan-2-yloxyphenyl)piperidine-4-carboxamide?
The canonical SMILES for N-(3-bromo-5-propan-2-yloxyphenyl)piperidine-4-carboxamide is CC(C)Oc1cc(Br)cc(NC(=O)C2CCNCC2)c1.
What is the InChIKey of N-(3-bromo-5-propan-2-yloxyphenyl)piperidine-4-carboxamide?
The InChIKey is OUSFSCDHZXZTRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2O2/c1-10(2)20-14-8-12(16)7-13(9-14)18-15(19)11-3-5-17-6-4-11/h7-11,17H,3-6H2,1-2H3,(H,18,19).
What are the key properties of N-(3-bromo-5-propan-2-yloxyphenyl)piperidine-4-carboxamide?
N-(3-bromo-5-propan-2-yloxyphenyl)piperidine-4-carboxamide has a molecular weight of 341.25 g/mol, XLogP of 3.17, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-5-propan-2-yloxyphenyl)piperidine-4-carboxamide is sourced from PubChem (CID 119344106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).