N-[[4-(4-bromophenyl)oxan-4-yl]methyl]piperidine-2-carboxamide

C18H25BrN2O2 — CID 119314892

IUPACN-[[4-(4-bromophenyl)oxan-4-yl]methyl]piperidine-2-carboxamide
SMILESO=C(NCC1(c2ccc(Br)cc2)CCOCC1)C1CCCCN1
InChIInChI=1S/C18H25BrN2O2/c19-15-6-4-14(5-7-15)18(8-11-23-12-9-18)13-21-17(22)16-3-1-2-10-20-16/h4-7,16,20H,1-3,8-13H2,(H,21,22)
InChIKeyMZHMGRSJMVDQDH-UHFFFAOYSA-N
MW381.31 g/mol
LogP2.76
Rot. Bonds4

About N-[[4-(4-bromophenyl)oxan-4-yl]methyl]piperidine-2-carboxamide

N-[[4-(4-bromophenyl)oxan-4-yl]methyl]piperidine-2-carboxamide (PubChem CID 119314892) has the molecular formula C18H25BrN2O2 and a molecular weight of 381.31 g/mol. Its IUPAC name is N-[[4-(4-bromophenyl)oxan-4-yl]methyl]piperidine-2-carboxamide.

Molecular Properties

Compound NameN-[[4-(4-bromophenyl)oxan-4-yl]methyl]piperidine-2-carboxamide
PubChem CID119314892
Molecular FormulaC18H25BrN2O2
Molecular Weight381.31 g/mol
Exact Mass380.11
IUPAC NameN-[[4-(4-bromophenyl)oxan-4-yl]methyl]piperidine-2-carboxamide
SMILESO=C(NCC1(c2ccc(Br)cc2)CCOCC1)C1CCCCN1
InChIInChI=1S/C18H25BrN2O2/c19-15-6-4-14(5-7-15)18(8-11-23-12-9-18)13-21-17(22)16-3-1-2-10-20-16/h4-7,16,20H,1-3,8-13H2,(H,21,22)
InChIKeyMZHMGRSJMVDQDH-UHFFFAOYSA-N
XLogP2.76
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.31
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-(4-bromophenyl)oxan-4-yl]methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119314901
N-[(4-phenyloxan-4-yl)methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119293530
N-[[1-(4-fluorophenyl)cyclobutyl]methyl]piperidine-2-carboxamide
CID 119310485
N-[[1-(4-chlorophenyl)cyclobutyl]methyl]piperidine-2-carboxamide
CID 119315649
N-[[1-(4-fluorophenyl)cyclohexyl]methyl]pyrrolidine-2-carboxamide
CID 119303685
N-[(1-phenylcyclopentyl)methyl]pyrrolidine-2-carboxamide
CID 110481276
3-amino-N-[[4-(4-bromophenyl)oxan-4-yl]methyl]cyclohexane-1-carboxamide;hydrochloride
CID 119768583
4-[[[(2R)-piperidine-2-carbonyl]amino]methyl]oxane-4-carboxylic acid
CID 104914473
N-[[1-(3-bromophenyl)cyclobutyl]methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119301103
1-amino-N-[[4-(4-bromophenyl)oxan-4-yl]methyl]cyclopentane-1-carboxamide
CID 119314904
N-[[4-(3-bromophenyl)oxan-4-yl]methyl]morpholine-3-carboxamide
CID 119738787
N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-2-oxoimidazolidine-4-carboxamide
CID 71877832

Frequently Asked Questions

What is the IUPAC name of N-[[4-(4-bromophenyl)oxan-4-yl]methyl]piperidine-2-carboxamide?
The IUPAC name of N-[[4-(4-bromophenyl)oxan-4-yl]methyl]piperidine-2-carboxamide (CID 119314892) is N-[[4-(4-bromophenyl)oxan-4-yl]methyl]piperidine-2-carboxamide.
What is the SMILES notation for N-[[4-(4-bromophenyl)oxan-4-yl]methyl]piperidine-2-carboxamide?
The canonical SMILES for N-[[4-(4-bromophenyl)oxan-4-yl]methyl]piperidine-2-carboxamide is O=C(NCC1(c2ccc(Br)cc2)CCOCC1)C1CCCCN1.
What is the InChIKey of N-[[4-(4-bromophenyl)oxan-4-yl]methyl]piperidine-2-carboxamide?
The InChIKey is MZHMGRSJMVDQDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25BrN2O2/c19-15-6-4-14(5-7-15)18(8-11-23-12-9-18)13-21-17(22)16-3-1-2-10-20-16/h4-7,16,20H,1-3,8-13H2,(H,21,22).
What are the key properties of N-[[4-(4-bromophenyl)oxan-4-yl]methyl]piperidine-2-carboxamide?
N-[[4-(4-bromophenyl)oxan-4-yl]methyl]piperidine-2-carboxamide has a molecular weight of 381.31 g/mol, XLogP of 2.76, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(4-bromophenyl)oxan-4-yl]methyl]piperidine-2-carboxamide is sourced from PubChem (CID 119314892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).