ethyl N-[1-(3,4-dimethylbenzoyl)piperidin-4-yl]carbamate

C17H24N2O3 — CID 47906995

IUPACethyl N-[1-(3,4-dimethylbenzoyl)piperidin-4-yl]carbamate
SMILESCCOC(=O)NC1CCN(C(=O)c2ccc(C)c(C)c2)CC1
InChIInChI=1S/C17H24N2O3/c1-4-22-17(21)18-15-7-9-19(10-8-15)16(20)14-6-5-12(2)13(3)11-14/h5-6,11,15H,4,7-10H2,1-3H3,(H,18,21)
InChIKeyZJCOPWMCZADTRN-UHFFFAOYSA-N
MW304.39 g/mol
LogP2.65
Rot. Bonds3

About ethyl N-[1-(3,4-dimethylbenzoyl)piperidin-4-yl]carbamate

ethyl N-[1-(3,4-dimethylbenzoyl)piperidin-4-yl]carbamate (PubChem CID 47906995) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is ethyl N-[1-(3,4-dimethylbenzoyl)piperidin-4-yl]carbamate.

Molecular Properties

Compound Nameethyl N-[1-(3,4-dimethylbenzoyl)piperidin-4-yl]carbamate
PubChem CID47906995
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC Nameethyl N-[1-(3,4-dimethylbenzoyl)piperidin-4-yl]carbamate
SMILESCCOC(=O)NC1CCN(C(=O)c2ccc(C)c(C)c2)CC1
InChIInChI=1S/C17H24N2O3/c1-4-22-17(21)18-15-7-9-19(10-8-15)16(20)14-6-5-12(2)13(3)11-14/h5-6,11,15H,4,7-10H2,1-3H3,(H,18,21)
InChIKeyZJCOPWMCZADTRN-UHFFFAOYSA-N
XLogP2.65
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-[4-(ethoxycarbonylamino)piperidine-1-carbonyl]phenyl] ethyl carbonate
CID 108563374
N-[1-(3,4-dimethylbenzoyl)piperidin-4-yl]-2-(4-methoxyphenyl)acetamide
CID 108549926
ethyl 4-[4-(3,4-dimethylbenzoyl)piperazin-1-yl]piperidine-1-carboxylate
CID 113074667
4-(dimethylamino)-N-[1-(3,4-dimethylbenzoyl)piperidin-4-yl]benzamide
CID 108557983
[4-(aminomethyl)piperidin-1-yl]-(3,4-dimethylphenyl)methanone
CID 28706771
N-[1-(3,5-dihydroxybenzoyl)piperidin-4-yl]-3,4-dimethylbenzamide
CID 108557638
2-chloro-N-[1-(3,4-dimethylbenzoyl)piperidin-4-yl]benzamide
CID 108550857
N-[1-(3,4-dimethylbenzoyl)piperidin-4-yl]thiophene-3-carboxamide
CID 60578146
2,5-dichloro-N-[1-(3,4-dimethylbenzoyl)piperidin-4-yl]benzamide
CID 108554637
N-[2-[[1-(3,4-dimethylbenzoyl)piperidin-4-yl]amino]-2-oxoethyl]benzamide
CID 108550471
N-[1-(3,4-dimethylbenzoyl)piperidin-4-yl]-4-(2,6-dimethylphenoxy)butanamide
CID 108553531
(4-anilinopiperidin-1-yl)-(3,4-dimethylphenyl)methanone
CID 86826256

Frequently Asked Questions

What is the IUPAC name of ethyl N-[1-(3,4-dimethylbenzoyl)piperidin-4-yl]carbamate?
The IUPAC name of ethyl N-[1-(3,4-dimethylbenzoyl)piperidin-4-yl]carbamate (CID 47906995) is ethyl N-[1-(3,4-dimethylbenzoyl)piperidin-4-yl]carbamate.
What is the SMILES notation for ethyl N-[1-(3,4-dimethylbenzoyl)piperidin-4-yl]carbamate?
The canonical SMILES for ethyl N-[1-(3,4-dimethylbenzoyl)piperidin-4-yl]carbamate is CCOC(=O)NC1CCN(C(=O)c2ccc(C)c(C)c2)CC1.
What is the InChIKey of ethyl N-[1-(3,4-dimethylbenzoyl)piperidin-4-yl]carbamate?
The InChIKey is ZJCOPWMCZADTRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-4-22-17(21)18-15-7-9-19(10-8-15)16(20)14-6-5-12(2)13(3)11-14/h5-6,11,15H,4,7-10H2,1-3H3,(H,18,21).
What are the key properties of ethyl N-[1-(3,4-dimethylbenzoyl)piperidin-4-yl]carbamate?
ethyl N-[1-(3,4-dimethylbenzoyl)piperidin-4-yl]carbamate has a molecular weight of 304.39 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[1-(3,4-dimethylbenzoyl)piperidin-4-yl]carbamate is sourced from PubChem (CID 47906995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).