N-[[1-(3-bromophenyl)cyclobutyl]methyl]piperidine-3-carboxamide

C17H23BrN2O — CID 119301112

IUPACN-[[1-(3-bromophenyl)cyclobutyl]methyl]piperidine-3-carboxamide
SMILESO=C(NCC1(c2cccc(Br)c2)CCC1)C1CCCNC1
InChIInChI=1S/C17H23BrN2O/c18-15-6-1-5-14(10-15)17(7-3-8-17)12-20-16(21)13-4-2-9-19-11-13/h1,5-6,10,13,19H,2-4,7-9,11-12H2,(H,20,21)
InChIKeyPRASSUFTIROGAE-UHFFFAOYSA-N
MW351.29 g/mol
LogP2.99
Rot. Bonds4

About N-[[1-(3-bromophenyl)cyclobutyl]methyl]piperidine-3-carboxamide

N-[[1-(3-bromophenyl)cyclobutyl]methyl]piperidine-3-carboxamide (PubChem CID 119301112) has the molecular formula C17H23BrN2O and a molecular weight of 351.29 g/mol. Its IUPAC name is N-[[1-(3-bromophenyl)cyclobutyl]methyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[[1-(3-bromophenyl)cyclobutyl]methyl]piperidine-3-carboxamide
PubChem CID119301112
Molecular FormulaC17H23BrN2O
Molecular Weight351.29 g/mol
Exact Mass350.10
IUPAC NameN-[[1-(3-bromophenyl)cyclobutyl]methyl]piperidine-3-carboxamide
SMILESO=C(NCC1(c2cccc(Br)c2)CCC1)C1CCCNC1
InChIInChI=1S/C17H23BrN2O/c18-15-6-1-5-14(10-15)17(7-3-8-17)12-20-16(21)13-4-2-9-19-11-13/h1,5-6,10,13,19H,2-4,7-9,11-12H2,(H,20,21)
InChIKeyPRASSUFTIROGAE-UHFFFAOYSA-N
XLogP2.99
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.29
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[4-(3-bromophenyl)oxan-4-yl]methyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119738816
N-[[1-(3-fluorophenyl)cyclopropyl]methyl]piperidine-3-carboxamide
CID 110482446
N-[(1-phenylcyclobutyl)methyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119699128
N-[[1-(3-bromophenyl)cyclobutyl]methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119301103
N-[[4-(3-bromophenyl)oxan-4-yl]methyl]cyclobutanecarboxamide
CID 47060857
N-[[1-(4-fluorophenyl)cyclopentyl]methyl]piperidine-3-carboxamide
CID 119293577
N-[[1-(4-fluorophenyl)cyclopentyl]methyl]piperidine-3-carboxamide;hydrochloride
CID 119293576
N-[[1-(3-bromophenyl)cyclobutyl]methyl]-2-pyrrolidin-2-ylacetamide
CID 119744834
3-amino-N-[[1-(3-bromophenyl)cyclopropyl]methyl]cyclohexane-1-carboxamide;hydrochloride
CID 119786274
N-[[1-[(3-bromophenyl)methyl]cyclopropyl]methyl]pyrrolidine-3-carboxamide
CID 167965461
N-[[1-(4-chlorophenyl)cyclopentyl]methyl]pyrrolidine-3-carboxamide
CID 119749968
N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]pyrrolidine-3-carboxamide
CID 119749930

Frequently Asked Questions

What is the IUPAC name of N-[[1-(3-bromophenyl)cyclobutyl]methyl]piperidine-3-carboxamide?
The IUPAC name of N-[[1-(3-bromophenyl)cyclobutyl]methyl]piperidine-3-carboxamide (CID 119301112) is N-[[1-(3-bromophenyl)cyclobutyl]methyl]piperidine-3-carboxamide.
What is the SMILES notation for N-[[1-(3-bromophenyl)cyclobutyl]methyl]piperidine-3-carboxamide?
The canonical SMILES for N-[[1-(3-bromophenyl)cyclobutyl]methyl]piperidine-3-carboxamide is O=C(NCC1(c2cccc(Br)c2)CCC1)C1CCCNC1.
What is the InChIKey of N-[[1-(3-bromophenyl)cyclobutyl]methyl]piperidine-3-carboxamide?
The InChIKey is PRASSUFTIROGAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23BrN2O/c18-15-6-1-5-14(10-15)17(7-3-8-17)12-20-16(21)13-4-2-9-19-11-13/h1,5-6,10,13,19H,2-4,7-9,11-12H2,(H,20,21).
What are the key properties of N-[[1-(3-bromophenyl)cyclobutyl]methyl]piperidine-3-carboxamide?
N-[[1-(3-bromophenyl)cyclobutyl]methyl]piperidine-3-carboxamide has a molecular weight of 351.29 g/mol, XLogP of 2.99, 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)cyclobutyl]methyl]piperidine-3-carboxamide is sourced from PubChem (CID 119301112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).