1-(2-bromoacetyl)-N,N-dicyclohexylpiperidine-4-carboxamide

C20H33BrN2O2 — CID 141242145

IUPAC1-(2-bromoacetyl)-N,N-dicyclohexylpiperidine-4-carboxamide
SMILESO=C(CBr)N1CCC(C(=O)N(C2CCCCC2)C2CCCCC2)CC1
InChIInChI=1S/C20H33BrN2O2/c21-15-19(24)22-13-11-16(12-14-22)20(25)23(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h16-18H,1-15H2
InChIKeyAHMRJTQCPCEXMC-UHFFFAOYSA-N
MW413.40 g/mol
LogP4.11
Rot. Bonds4

About 1-(2-bromoacetyl)-N,N-dicyclohexylpiperidine-4-carboxamide

1-(2-bromoacetyl)-N,N-dicyclohexylpiperidine-4-carboxamide (PubChem CID 141242145) has the molecular formula C20H33BrN2O2 and a molecular weight of 413.40 g/mol. Its IUPAC name is 1-(2-bromoacetyl)-N,N-dicyclohexylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2-bromoacetyl)-N,N-dicyclohexylpiperidine-4-carboxamide
PubChem CID141242145
Molecular FormulaC20H33BrN2O2
Molecular Weight413.40 g/mol
Exact Mass412.17
IUPAC Name1-(2-bromoacetyl)-N,N-dicyclohexylpiperidine-4-carboxamide
SMILESO=C(CBr)N1CCC(C(=O)N(C2CCCCC2)C2CCCCC2)CC1
InChIInChI=1S/C20H33BrN2O2/c21-15-19(24)22-13-11-16(12-14-22)20(25)23(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h16-18H,1-15H2
InChIKeyAHMRJTQCPCEXMC-UHFFFAOYSA-N
XLogP4.11
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.40
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N,N-dicyclohexylcyclobutanecarboxamide
CID 841777
N-cyclopentyl-N-cyclopropyl-1-methylsulfonylpiperidine-4-carboxamide
CID 110872931
2-bromo-1-(4-methylpiperidin-1-yl)ethanone
CID 52984046
2-(dicyclohexylamino)-1-pyrrolidin-1-ylethanone
CID 78843214
N-cyclopropyl-N-(1-methylpiperidin-4-yl)cyclopentanecarboxamide
CID 110872957
1-[2-[cycloheptyl(methyl)amino]acetyl]piperidine-4-carboxylic acid
CID 62657437
N-[2-(azepan-1-yl)-2-oxoethyl]-N-cycloheptylmethanesulfonamide
CID 113153097
2-bromo-1-[3-(dimethylamino)pyrrolidin-1-yl]ethanone
CID 55246948
2-bromo-1-(4-methylazepan-1-yl)ethanone
CID 63679167
1-[2-[carboxymethyl(cyclohexyl)amino]acetyl]piperidine-4-carboxylic acid
CID 122508236
N-cyclopentyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)methanesulfonamide
CID 113148830
N-[2-(azepan-1-yl)-2-oxoethyl]-N-cyclohexylacetamide
CID 113159492

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromoacetyl)-N,N-dicyclohexylpiperidine-4-carboxamide?
The IUPAC name of 1-(2-bromoacetyl)-N,N-dicyclohexylpiperidine-4-carboxamide (CID 141242145) is 1-(2-bromoacetyl)-N,N-dicyclohexylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(2-bromoacetyl)-N,N-dicyclohexylpiperidine-4-carboxamide?
The canonical SMILES for 1-(2-bromoacetyl)-N,N-dicyclohexylpiperidine-4-carboxamide is O=C(CBr)N1CCC(C(=O)N(C2CCCCC2)C2CCCCC2)CC1.
What is the InChIKey of 1-(2-bromoacetyl)-N,N-dicyclohexylpiperidine-4-carboxamide?
The InChIKey is AHMRJTQCPCEXMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33BrN2O2/c21-15-19(24)22-13-11-16(12-14-22)20(25)23(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h16-18H,1-15H2.
What are the key properties of 1-(2-bromoacetyl)-N,N-dicyclohexylpiperidine-4-carboxamide?
1-(2-bromoacetyl)-N,N-dicyclohexylpiperidine-4-carboxamide has a molecular weight of 413.40 g/mol, XLogP of 4.11, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromoacetyl)-N,N-dicyclohexylpiperidine-4-carboxamide is sourced from PubChem (CID 141242145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).