N-(1-adamantylmethyl)-1-(4-bromobenzoyl)-N-methylpiperidine-4-carboxamide

C25H33BrN2O2 — CID 42576280

IUPACN-(1-adamantylmethyl)-1-(4-bromobenzoyl)-N-methylpiperidine-4-carboxamide
SMILESCN(CC12CC3CC(CC(C3)C1)C2)C(=O)C1CCN(C(=O)c2ccc(Br)cc2)CC1
InChIInChI=1S/C25H33BrN2O2/c1-27(16-25-13-17-10-18(14-25)12-19(11-17)15-25)23(29)21-6-8-28(9-7-21)24(30)20-2-4-22(26)5-3-20/h2-5,17-19,21H,6-16H2,1H3
InChIKeyVHLZVFBYCMDPDB-UHFFFAOYSA-N
MW473.46 g/mol
LogP4.98
Rot. Bonds4

About N-(1-adamantylmethyl)-1-(4-bromobenzoyl)-N-methylpiperidine-4-carboxamide

N-(1-adamantylmethyl)-1-(4-bromobenzoyl)-N-methylpiperidine-4-carboxamide (PubChem CID 42576280) has the molecular formula C25H33BrN2O2 and a molecular weight of 473.46 g/mol. Its IUPAC name is N-(1-adamantylmethyl)-1-(4-bromobenzoyl)-N-methylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(1-adamantylmethyl)-1-(4-bromobenzoyl)-N-methylpiperidine-4-carboxamide
PubChem CID42576280
Molecular FormulaC25H33BrN2O2
Molecular Weight473.46 g/mol
Exact Mass472.17
IUPAC NameN-(1-adamantylmethyl)-1-(4-bromobenzoyl)-N-methylpiperidine-4-carboxamide
SMILESCN(CC12CC3CC(CC(C3)C1)C2)C(=O)C1CCN(C(=O)c2ccc(Br)cc2)CC1
InChIInChI=1S/C25H33BrN2O2/c1-27(16-25-13-17-10-18(14-25)12-19(11-17)15-25)23(29)21-6-8-28(9-7-21)24(30)20-2-4-22(26)5-3-20/h2-5,17-19,21H,6-16H2,1H3
InChIKeyVHLZVFBYCMDPDB-UHFFFAOYSA-N
XLogP4.98
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.46
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-bromobenzoyl)-N-[(4-cyanophenyl)methyl]-N-methylpiperidine-4-carboxamide
CID 39859932
N-[1-(1-adamantyl)ethyl]-1-(4-bromobenzoyl)piperidine-4-carboxamide
CID 46560202
1-(4-bromobenzoyl)-N',N'-dimethylpiperidine-4-carbohydrazide
CID 9180450
1-[2-(4-bromobenzoyl)benzoyl]-N,N-dimethylpiperidine-4-carboxamide
CID 47020581
N-(1-adamantylmethyl)-1-(4-fluorobenzoyl)piperidine-4-carboxamide
CID 8923714
[4-(bromomethyl)piperidin-1-yl]-(4-bromophenyl)methanone
CID 80678679
(4-bromophenyl)-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]methanone
CID 60954454
[(2R)-1-(dimethylamino)-1-oxopropan-2-yl] 1-(4-bromobenzoyl)piperidine-4-carboxylate
CID 8923429
N-benzyl-1-(4-chlorobenzoyl)-N-methylpiperidine-4-carboxamide
CID 17119215
[1-(4-bromobenzoyl)piperidin-4-yl]-[(3S)-3-methylpiperazin-1-yl]methanone
CID 166234051
4-[(1-benzoylpiperidine-4-carbonyl)-methylamino]butanoic acid
CID 119173154
N-methyl-N-(2-methylpropyl)-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide
CID 134058944

Frequently Asked Questions

What is the IUPAC name of N-(1-adamantylmethyl)-1-(4-bromobenzoyl)-N-methylpiperidine-4-carboxamide?
The IUPAC name of N-(1-adamantylmethyl)-1-(4-bromobenzoyl)-N-methylpiperidine-4-carboxamide (CID 42576280) is N-(1-adamantylmethyl)-1-(4-bromobenzoyl)-N-methylpiperidine-4-carboxamide.
What is the SMILES notation for N-(1-adamantylmethyl)-1-(4-bromobenzoyl)-N-methylpiperidine-4-carboxamide?
The canonical SMILES for N-(1-adamantylmethyl)-1-(4-bromobenzoyl)-N-methylpiperidine-4-carboxamide is CN(CC12CC3CC(CC(C3)C1)C2)C(=O)C1CCN(C(=O)c2ccc(Br)cc2)CC1.
What is the InChIKey of N-(1-adamantylmethyl)-1-(4-bromobenzoyl)-N-methylpiperidine-4-carboxamide?
The InChIKey is VHLZVFBYCMDPDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33BrN2O2/c1-27(16-25-13-17-10-18(14-25)12-19(11-17)15-25)23(29)21-6-8-28(9-7-21)24(30)20-2-4-22(26)5-3-20/h2-5,17-19,21H,6-16H2,1H3.
What are the key properties of N-(1-adamantylmethyl)-1-(4-bromobenzoyl)-N-methylpiperidine-4-carboxamide?
N-(1-adamantylmethyl)-1-(4-bromobenzoyl)-N-methylpiperidine-4-carboxamide has a molecular weight of 473.46 g/mol, XLogP of 4.98, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantylmethyl)-1-(4-bromobenzoyl)-N-methylpiperidine-4-carboxamide is sourced from PubChem (CID 42576280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).