tert-butyl N-[(3R,4S)-1-(2-cyclopentylacetyl)-3-methylpiperidin-4-yl]carbamate

C18H32N2O3 — CID 95775102

IUPACtert-butyl N-[(3R,4S)-1-(2-cyclopentylacetyl)-3-methylpiperidin-4-yl]carbamate
SMILESC[C@@H]1CN(C(=O)CC2CCCC2)CC[C@@H]1NC(=O)OC(C)(C)C
InChIInChI=1S/C18H32N2O3/c1-13-12-20(16(21)11-14-7-5-6-8-14)10-9-15(13)19-17(22)23-18(2,3)4/h13-15H,5-12H2,1-4H3,(H,19,22)/t13-,15+/m1/s1
InChIKeyMEUHIWPWIBOXLB-HIFRSBDPSA-N
MW324.46 g/mol
LogP3.33
Rot. Bonds3

About tert-butyl N-[(3R,4S)-1-(2-cyclopentylacetyl)-3-methylpiperidin-4-yl]carbamate

tert-butyl N-[(3R,4S)-1-(2-cyclopentylacetyl)-3-methylpiperidin-4-yl]carbamate (PubChem CID 95775102) has the molecular formula C18H32N2O3 and a molecular weight of 324.46 g/mol. Its IUPAC name is tert-butyl N-[(3R,4S)-1-(2-cyclopentylacetyl)-3-methylpiperidin-4-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(3R,4S)-1-(2-cyclopentylacetyl)-3-methylpiperidin-4-yl]carbamate
PubChem CID95775102
Molecular FormulaC18H32N2O3
Molecular Weight324.46 g/mol
Exact Mass324.24
IUPAC Nametert-butyl N-[(3R,4S)-1-(2-cyclopentylacetyl)-3-methylpiperidin-4-yl]carbamate
SMILESC[C@@H]1CN(C(=O)CC2CCCC2)CC[C@@H]1NC(=O)OC(C)(C)C
InChIInChI=1S/C18H32N2O3/c1-13-12-20(16(21)11-14-7-5-6-8-14)10-9-15(13)19-17(22)23-18(2,3)4/h13-15H,5-12H2,1-4H3,(H,19,22)/t13-,15+/m1/s1
InChIKeyMEUHIWPWIBOXLB-HIFRSBDPSA-N
XLogP3.33
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.46
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclobutyl-1-[3-methyl-4-(methylamino)piperidin-1-yl]ethanone
CID 103161329
2-cyclopentyl-1-[3-methyl-4-(propylamino)piperidin-1-yl]ethanone
CID 114498667
tert-butyl N-[3-[[1-(2-cyclopentylacetyl)piperidin-4-yl]amino]-3-oxopropyl]carbamate
CID 108919722
tert-butyl N-[3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]cyclobutyl]carbamate
CID 162753501
tert-butyl N-[(3R,4R)-3-methyl-1-(4-methylbenzoyl)piperidin-4-yl]carbamate
CID 95775135
ethyl 2-[1-[(1R,2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexanecarbonyl]piperidin-4-yl]acetate
CID 67036333
1-(3-chloro-4-methylpiperidin-1-yl)-2-cyclopentylethanone
CID 102961260
[(3S,4S)-1-(2-methoxyacetyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-4-yl]carbamic acid
CID 69015121
tert-butyl (3S)-4-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylate
CID 130735515
tert-butyl N-[(1R,2S)-2-methylcyclopentyl]carbamate
CID 162343214
tert-butyl N-[2-[4-[(2-cyclohexylacetyl)amino]piperidin-1-yl]-2-oxoethyl]carbamate
CID 108916814
tert-butyl N-[2-(cyclopropylmethylamino)cycloheptyl]carbamate
CID 103082520

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(3R,4S)-1-(2-cyclopentylacetyl)-3-methylpiperidin-4-yl]carbamate?
The IUPAC name of tert-butyl N-[(3R,4S)-1-(2-cyclopentylacetyl)-3-methylpiperidin-4-yl]carbamate (CID 95775102) is tert-butyl N-[(3R,4S)-1-(2-cyclopentylacetyl)-3-methylpiperidin-4-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(3R,4S)-1-(2-cyclopentylacetyl)-3-methylpiperidin-4-yl]carbamate?
The canonical SMILES for tert-butyl N-[(3R,4S)-1-(2-cyclopentylacetyl)-3-methylpiperidin-4-yl]carbamate is C[C@@H]1CN(C(=O)CC2CCCC2)CC[C@@H]1NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(3R,4S)-1-(2-cyclopentylacetyl)-3-methylpiperidin-4-yl]carbamate?
The InChIKey is MEUHIWPWIBOXLB-HIFRSBDPSA-N. The full InChI is InChI=1S/C18H32N2O3/c1-13-12-20(16(21)11-14-7-5-6-8-14)10-9-15(13)19-17(22)23-18(2,3)4/h13-15H,5-12H2,1-4H3,(H,19,22)/t13-,15+/m1/s1.
What are the key properties of tert-butyl N-[(3R,4S)-1-(2-cyclopentylacetyl)-3-methylpiperidin-4-yl]carbamate?
tert-butyl N-[(3R,4S)-1-(2-cyclopentylacetyl)-3-methylpiperidin-4-yl]carbamate has a molecular weight of 324.46 g/mol, XLogP of 3.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(3R,4S)-1-(2-cyclopentylacetyl)-3-methylpiperidin-4-yl]carbamate is sourced from PubChem (CID 95775102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).