tert-butyl N-[1-[(2R)-2-(dimethylamino)-3-methylbutanoyl]piperidin-4-yl]carbamate

C17H33N3O3 — CID 95155324

IUPACtert-butyl N-[1-[(2R)-2-(dimethylamino)-3-methylbutanoyl]piperidin-4-yl]carbamate
SMILESCC(C)[C@H](C(=O)N1CCC(NC(=O)OC(C)(C)C)CC1)N(C)C
InChIInChI=1S/C17H33N3O3/c1-12(2)14(19(6)7)15(21)20-10-8-13(9-11-20)18-16(22)23-17(3,4)5/h12-14H,8-11H2,1-7H3,(H,18,22)/t14-/m1/s1
InChIKeyRZDNTAVERBOTDX-CQSZACIVSA-N
MW327.47 g/mol
LogP2.09
Rot. Bonds4

About tert-butyl N-[1-[(2R)-2-(dimethylamino)-3-methylbutanoyl]piperidin-4-yl]carbamate

tert-butyl N-[1-[(2R)-2-(dimethylamino)-3-methylbutanoyl]piperidin-4-yl]carbamate (PubChem CID 95155324) has the molecular formula C17H33N3O3 and a molecular weight of 327.47 g/mol. Its IUPAC name is tert-butyl N-[1-[(2R)-2-(dimethylamino)-3-methylbutanoyl]piperidin-4-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[(2R)-2-(dimethylamino)-3-methylbutanoyl]piperidin-4-yl]carbamate
PubChem CID95155324
Molecular FormulaC17H33N3O3
Molecular Weight327.47 g/mol
Exact Mass327.25
IUPAC Nametert-butyl N-[1-[(2R)-2-(dimethylamino)-3-methylbutanoyl]piperidin-4-yl]carbamate
SMILESCC(C)[C@H](C(=O)N1CCC(NC(=O)OC(C)(C)C)CC1)N(C)C
InChIInChI=1S/C17H33N3O3/c1-12(2)14(19(6)7)15(21)20-10-8-13(9-11-20)18-16(22)23-17(3,4)5/h12-14H,8-11H2,1-7H3,(H,18,22)/t14-/m1/s1
InChIKeyRZDNTAVERBOTDX-CQSZACIVSA-N
XLogP2.09
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.47
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(dimethylamino)-3-methyl-1-[4-(methylamino)piperidin-1-yl]butan-1-one;dihydrochloride
CID 119561287
4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylic acid
CID 18784768
tert-butyl N-[1-[1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]piperidin-4-yl]carbamate
CID 60513147
tert-butyl N-[1-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]piperidin-4-yl]carbamate
CID 95300418
tert-butyl N-[1-(pyrrolidine-1-carbonyl)piperidin-4-yl]carbamate
CID 46318296
tert-butyl N-[(2S)-1-[4-(dimethylamino)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate
CID 54108523
tert-butyl N-(1-acetylazepan-4-yl)carbamate
CID 123656997
sodium (2S)-3-methyl-2-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carbonyl]amino]butanoate
CID 70084946
tert-butyl N-(1-methylpiperidin-4-yl)carbamate;ethane
CID 142994161
tert-butyl N-[1-[2-(4-chlorophenyl)sulfanylpropanoyl]piperidin-4-yl]carbamate
CID 86992667
tert-butyl N-(1-acetylpyrrolidin-3-yl)carbamate
CID 20716164
tert-butyl N-(1-butanoylpiperidin-4-yl)carbamate
CID 52622771

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[(2R)-2-(dimethylamino)-3-methylbutanoyl]piperidin-4-yl]carbamate?
The IUPAC name of tert-butyl N-[1-[(2R)-2-(dimethylamino)-3-methylbutanoyl]piperidin-4-yl]carbamate (CID 95155324) is tert-butyl N-[1-[(2R)-2-(dimethylamino)-3-methylbutanoyl]piperidin-4-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[(2R)-2-(dimethylamino)-3-methylbutanoyl]piperidin-4-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-[(2R)-2-(dimethylamino)-3-methylbutanoyl]piperidin-4-yl]carbamate is CC(C)[C@H](C(=O)N1CCC(NC(=O)OC(C)(C)C)CC1)N(C)C.
What is the InChIKey of tert-butyl N-[1-[(2R)-2-(dimethylamino)-3-methylbutanoyl]piperidin-4-yl]carbamate?
The InChIKey is RZDNTAVERBOTDX-CQSZACIVSA-N. The full InChI is InChI=1S/C17H33N3O3/c1-12(2)14(19(6)7)15(21)20-10-8-13(9-11-20)18-16(22)23-17(3,4)5/h12-14H,8-11H2,1-7H3,(H,18,22)/t14-/m1/s1.
What are the key properties of tert-butyl N-[1-[(2R)-2-(dimethylamino)-3-methylbutanoyl]piperidin-4-yl]carbamate?
tert-butyl N-[1-[(2R)-2-(dimethylamino)-3-methylbutanoyl]piperidin-4-yl]carbamate has a molecular weight of 327.47 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[(2R)-2-(dimethylamino)-3-methylbutanoyl]piperidin-4-yl]carbamate is sourced from PubChem (CID 95155324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).