tert-butyl 4-[[(2R)-2-(dimethylamino)-2-(4-ethylphenyl)ethyl]carbamoyl]piperidine-1-carboxylate

C23H37N3O3 — CID 39961035

IUPACtert-butyl 4-[[(2R)-2-(dimethylamino)-2-(4-ethylphenyl)ethyl]carbamoyl]piperidine-1-carboxylate
SMILESCCc1ccc([C@H](CNC(=O)C2CCN(C(=O)OC(C)(C)C)CC2)N(C)C)cc1
InChIInChI=1S/C23H37N3O3/c1-7-17-8-10-18(11-9-17)20(25(5)6)16-24-21(27)19-12-14-26(15-13-19)22(28)29-23(2,3)4/h8-11,19-20H,7,12-16H2,1-6H3,(H,24,27)/t20-/m0/s1
InChIKeyTVRSHFRBXLIFSX-FQEVSTJZSA-N
MW403.57 g/mol
LogP3.62
Rot. Bonds6

About tert-butyl 4-[[(2R)-2-(dimethylamino)-2-(4-ethylphenyl)ethyl]carbamoyl]piperidine-1-carboxylate

tert-butyl 4-[[(2R)-2-(dimethylamino)-2-(4-ethylphenyl)ethyl]carbamoyl]piperidine-1-carboxylate (PubChem CID 39961035) has the molecular formula C23H37N3O3 and a molecular weight of 403.57 g/mol. Its IUPAC name is tert-butyl 4-[[(2R)-2-(dimethylamino)-2-(4-ethylphenyl)ethyl]carbamoyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[[(2R)-2-(dimethylamino)-2-(4-ethylphenyl)ethyl]carbamoyl]piperidine-1-carboxylate
PubChem CID39961035
Molecular FormulaC23H37N3O3
Molecular Weight403.57 g/mol
Exact Mass403.28
IUPAC Nametert-butyl 4-[[(2R)-2-(dimethylamino)-2-(4-ethylphenyl)ethyl]carbamoyl]piperidine-1-carboxylate
SMILESCCc1ccc([C@H](CNC(=O)C2CCN(C(=O)OC(C)(C)C)CC2)N(C)C)cc1
InChIInChI=1S/C23H37N3O3/c1-7-17-8-10-18(11-9-17)20(25(5)6)16-24-21(27)19-12-14-26(15-13-19)22(28)29-23(2,3)4/h8-11,19-20H,7,12-16H2,1-6H3,(H,24,27)/t20-/m0/s1
InChIKeyTVRSHFRBXLIFSX-FQEVSTJZSA-N
XLogP3.62
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.57
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze tert-butyl 4-[[(2R)-2-(dimethylamino)-2-(4-ethylphenyl)ethyl]carbamoyl]piperidine-1-carboxylate with MolForge

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Related Compounds

tert-butyl 4-[[(2R)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]carbamoyl]piperidine-1-carboxylate
CID 39956468
1-(2,4-difluorobenzoyl)-N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]piperidine-4-carboxamide
CID 24640246
tert-butyl 4-[[4-(diethylaminomethyl)phenyl]methylcarbamoyl]piperidine-1-carboxylate
CID 40707660
N-[(2S)-2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 25487612
tert-butyl 4-[2-(dimethylamino)ethylcarbamoyl]piperidine-1-carboxylate
CID 57496371
1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-[(2S)-2-(dimethylamino)-2-(4-ethylphenyl)ethyl]piperidine-4-carboxamide
CID 27798668
tert-butyl 4-(pyridin-4-ylmethylcarbamoyl)piperidine-1-carboxylate
CID 51218821
tert-butyl 4-[[(1S)-1-(4-methylphenyl)propyl]carbamoyl]piperidine-1-carboxylate
CID 9155664
tert-butyl 3-[(4-ethylphenyl)-sulfinooxymethyl]pyrrolidine-1-carboxylate
CID 174865805
tert-butyl 4-[1-(4-chlorophenyl)propylcarbamoyl]piperidine-1-carboxylate
CID 24613419
1-(4-bromobenzoyl)-N-[(2R)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]piperidine-4-carboxamide
CID 27772471
tert-butyl 4-[2-(4-methylpiperidin-1-yl)propylcarbamoyl]piperidine-1-carboxylate
CID 110620686

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[[(2R)-2-(dimethylamino)-2-(4-ethylphenyl)ethyl]carbamoyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[[(2R)-2-(dimethylamino)-2-(4-ethylphenyl)ethyl]carbamoyl]piperidine-1-carboxylate (CID 39961035) is tert-butyl 4-[[(2R)-2-(dimethylamino)-2-(4-ethylphenyl)ethyl]carbamoyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[[(2R)-2-(dimethylamino)-2-(4-ethylphenyl)ethyl]carbamoyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[[(2R)-2-(dimethylamino)-2-(4-ethylphenyl)ethyl]carbamoyl]piperidine-1-carboxylate is CCc1ccc([C@H](CNC(=O)C2CCN(C(=O)OC(C)(C)C)CC2)N(C)C)cc1.
What is the InChIKey of tert-butyl 4-[[(2R)-2-(dimethylamino)-2-(4-ethylphenyl)ethyl]carbamoyl]piperidine-1-carboxylate?
The InChIKey is TVRSHFRBXLIFSX-FQEVSTJZSA-N. The full InChI is InChI=1S/C23H37N3O3/c1-7-17-8-10-18(11-9-17)20(25(5)6)16-24-21(27)19-12-14-26(15-13-19)22(28)29-23(2,3)4/h8-11,19-20H,7,12-16H2,1-6H3,(H,24,27)/t20-/m0/s1.
What are the key properties of tert-butyl 4-[[(2R)-2-(dimethylamino)-2-(4-ethylphenyl)ethyl]carbamoyl]piperidine-1-carboxylate?
tert-butyl 4-[[(2R)-2-(dimethylamino)-2-(4-ethylphenyl)ethyl]carbamoyl]piperidine-1-carboxylate has a molecular weight of 403.57 g/mol, XLogP of 3.62, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[[(2R)-2-(dimethylamino)-2-(4-ethylphenyl)ethyl]carbamoyl]piperidine-1-carboxylate is sourced from PubChem (CID 39961035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).