N-[1-(2-bromophenyl)propan-2-yl]-4-(methoxymethyl)piperidine-4-carboxamide

C17H25BrN2O2 — CID 120637796

IUPACN-[1-(2-bromophenyl)propan-2-yl]-4-(methoxymethyl)piperidine-4-carboxamide
SMILESCOCC1(C(=O)NC(C)Cc2ccccc2Br)CCNCC1
InChIInChI=1S/C17H25BrN2O2/c1-13(11-14-5-3-4-6-15(14)18)20-16(21)17(12-22-2)7-9-19-10-8-17/h3-6,13,19H,7-12H2,1-2H3,(H,20,21)
InChIKeyDXFNTUGCQIWXFF-UHFFFAOYSA-N
MW369.30 g/mol
LogP2.51
Rot. Bonds6

About N-[1-(2-bromophenyl)propan-2-yl]-4-(methoxymethyl)piperidine-4-carboxamide

N-[1-(2-bromophenyl)propan-2-yl]-4-(methoxymethyl)piperidine-4-carboxamide (PubChem CID 120637796) has the molecular formula C17H25BrN2O2 and a molecular weight of 369.30 g/mol. Its IUPAC name is N-[1-(2-bromophenyl)propan-2-yl]-4-(methoxymethyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[1-(2-bromophenyl)propan-2-yl]-4-(methoxymethyl)piperidine-4-carboxamide
PubChem CID120637796
Molecular FormulaC17H25BrN2O2
Molecular Weight369.30 g/mol
Exact Mass368.11
IUPAC NameN-[1-(2-bromophenyl)propan-2-yl]-4-(methoxymethyl)piperidine-4-carboxamide
SMILESCOCC1(C(=O)NC(C)Cc2ccccc2Br)CCNCC1
InChIInChI=1S/C17H25BrN2O2/c1-13(11-14-5-3-4-6-15(14)18)20-16(21)17(12-22-2)7-9-19-10-8-17/h3-6,13,19H,7-12H2,1-2H3,(H,20,21)
InChIKeyDXFNTUGCQIWXFF-UHFFFAOYSA-N
XLogP2.51
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.30
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(2-bromophenyl)propan-2-yl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120637795
N-[(2-bromophenyl)methyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120620352
N-[1-(2,4-dichlorophenyl)propan-2-yl]-4-(methoxymethyl)piperidine-4-carboxamide
CID 120627696
4-(methoxymethyl)-N-(3-phenylbutan-2-yl)piperidine-4-carboxamide;hydrochloride
CID 120633881
N-(5,5-dimethylhexan-2-yl)-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120634804
4-(aminomethyl)-N-[1-(2-bromophenyl)propan-2-yl]oxane-4-carboxamide;hydrochloride
CID 120936516
4-(methoxymethyl)-N-[1-(4-phenoxyphenyl)ethyl]piperidine-4-carboxamide
CID 120629843
N-(1-ethylsulfanylpropan-2-yl)-4-(methoxymethyl)piperidine-4-carboxamide
CID 114042076
4-(methoxymethyl)-N-[(2-methylphenyl)methyl]piperidine-4-carboxamide;hydrochloride
CID 120618108
4-(methoxymethyl)-N-[[2-(2-methylpropoxy)phenyl]methyl]piperidine-4-carboxamide
CID 120624410
N-(4-anilinophenyl)-4-(methoxymethyl)piperidine-4-carboxamide
CID 120616741
N-[1-(2-bromophenyl)propan-2-yl]pyrrolidine-3-carboxamide;hydrochloride
CID 119814306

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-bromophenyl)propan-2-yl]-4-(methoxymethyl)piperidine-4-carboxamide?
The IUPAC name of N-[1-(2-bromophenyl)propan-2-yl]-4-(methoxymethyl)piperidine-4-carboxamide (CID 120637796) is N-[1-(2-bromophenyl)propan-2-yl]-4-(methoxymethyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[1-(2-bromophenyl)propan-2-yl]-4-(methoxymethyl)piperidine-4-carboxamide?
The canonical SMILES for N-[1-(2-bromophenyl)propan-2-yl]-4-(methoxymethyl)piperidine-4-carboxamide is COCC1(C(=O)NC(C)Cc2ccccc2Br)CCNCC1.
What is the InChIKey of N-[1-(2-bromophenyl)propan-2-yl]-4-(methoxymethyl)piperidine-4-carboxamide?
The InChIKey is DXFNTUGCQIWXFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25BrN2O2/c1-13(11-14-5-3-4-6-15(14)18)20-16(21)17(12-22-2)7-9-19-10-8-17/h3-6,13,19H,7-12H2,1-2H3,(H,20,21).
What are the key properties of N-[1-(2-bromophenyl)propan-2-yl]-4-(methoxymethyl)piperidine-4-carboxamide?
N-[1-(2-bromophenyl)propan-2-yl]-4-(methoxymethyl)piperidine-4-carboxamide has a molecular weight of 369.30 g/mol, XLogP of 2.51, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-bromophenyl)propan-2-yl]-4-(methoxymethyl)piperidine-4-carboxamide is sourced from PubChem (CID 120637796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).