N-[1-(3-bromophenyl)propan-2-yl]piperidine-2-carboxamide

C15H21BrN2O — CID 119298778

IUPACN-[1-(3-bromophenyl)propan-2-yl]piperidine-2-carboxamide
SMILESCC(Cc1cccc(Br)c1)NC(=O)C1CCCCN1
InChIInChI=1S/C15H21BrN2O/c1-11(9-12-5-4-6-13(16)10-12)18-15(19)14-7-2-3-8-17-14/h4-6,10-11,14,17H,2-3,7-9H2,1H3,(H,18,19)
InChIKeyVQGGUMWPMQGFSU-UHFFFAOYSA-N
MW325.25 g/mol
LogP2.64
Rot. Bonds4

About N-[1-(3-bromophenyl)propan-2-yl]piperidine-2-carboxamide

N-[1-(3-bromophenyl)propan-2-yl]piperidine-2-carboxamide (PubChem CID 119298778) has the molecular formula C15H21BrN2O and a molecular weight of 325.25 g/mol. Its IUPAC name is N-[1-(3-bromophenyl)propan-2-yl]piperidine-2-carboxamide.

Molecular Properties

Compound NameN-[1-(3-bromophenyl)propan-2-yl]piperidine-2-carboxamide
PubChem CID119298778
Molecular FormulaC15H21BrN2O
Molecular Weight325.25 g/mol
Exact Mass324.08
IUPAC NameN-[1-(3-bromophenyl)propan-2-yl]piperidine-2-carboxamide
SMILESCC(Cc1cccc(Br)c1)NC(=O)C1CCCCN1
InChIInChI=1S/C15H21BrN2O/c1-11(9-12-5-4-6-13(16)10-12)18-15(19)14-7-2-3-8-17-14/h4-6,10-11,14,17H,2-3,7-9H2,1H3,(H,18,19)
InChIKeyVQGGUMWPMQGFSU-UHFFFAOYSA-N
XLogP2.64
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.25
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(3-bromo-4-fluorophenyl)propan-2-yl]piperidine-2-carboxamide
CID 119341100
N-[1-(4-bromophenyl)propan-2-yl]pyrrolidine-2-carboxamide;hydrochloride
CID 119295645
(2R)-N-[(1R)-1-(3-bromophenyl)ethyl]piperidine-2-carboxamide
CID 104914374
(2R,4R)-N-[(2R)-1-(3-bromophenyl)propan-2-yl]-4-hydroxypyrrolidine-2-carboxamide
CID 125138536
N-[(1R)-1-(3-bromophenyl)ethyl]azepane-2-carboxamide
CID 81375889
N-[1-(2-bromophenyl)propan-2-yl]piperidine-2-carboxamide;hydrochloride
CID 119341127
N-[1-(3,4-dimethoxyphenyl)propan-2-yl]piperidine-2-carboxamide
CID 119319806
(2S)-N-[(2R)-1-(3,5-dimethylphenyl)propan-2-yl]pyrrolidine-2-carboxamide
CID 96510056
2-(3-bromophenyl)-1-piperidin-2-ylethanone
CID 116547857
N-(4-phenylbutan-2-yl)piperidine-2-carboxamide;hydrochloride
CID 119262921
(2S)-N-[1-(3-bromophenyl)ethyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119285496
N-[1-(2,4-dichlorophenyl)propan-2-yl]piperidine-2-carboxamide
CID 119308681

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-bromophenyl)propan-2-yl]piperidine-2-carboxamide?
The IUPAC name of N-[1-(3-bromophenyl)propan-2-yl]piperidine-2-carboxamide (CID 119298778) is N-[1-(3-bromophenyl)propan-2-yl]piperidine-2-carboxamide.
What is the SMILES notation for N-[1-(3-bromophenyl)propan-2-yl]piperidine-2-carboxamide?
The canonical SMILES for N-[1-(3-bromophenyl)propan-2-yl]piperidine-2-carboxamide is CC(Cc1cccc(Br)c1)NC(=O)C1CCCCN1.
What is the InChIKey of N-[1-(3-bromophenyl)propan-2-yl]piperidine-2-carboxamide?
The InChIKey is VQGGUMWPMQGFSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2O/c1-11(9-12-5-4-6-13(16)10-12)18-15(19)14-7-2-3-8-17-14/h4-6,10-11,14,17H,2-3,7-9H2,1H3,(H,18,19).
What are the key properties of N-[1-(3-bromophenyl)propan-2-yl]piperidine-2-carboxamide?
N-[1-(3-bromophenyl)propan-2-yl]piperidine-2-carboxamide has a molecular weight of 325.25 g/mol, XLogP of 2.64, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-bromophenyl)propan-2-yl]piperidine-2-carboxamide is sourced from PubChem (CID 119298778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).