tert-butyl N-[1-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]piperidin-4-yl]carbamate

C17H31N3O3 — CID 95300418

IUPACtert-butyl N-[1-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]piperidin-4-yl]carbamate
SMILESC[C@@H](C(=O)N1CCCC1)N1CCC(NC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C17H31N3O3/c1-13(15(21)20-9-5-6-10-20)19-11-7-14(8-12-19)18-16(22)23-17(2,3)4/h13-14H,5-12H2,1-4H3,(H,18,22)/t13-/m0/s1
InChIKeyPPASSDHTYKFBMB-ZDUSSCGKSA-N
MW325.45 g/mol
LogP1.99
Rot. Bonds3

About tert-butyl N-[1-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]piperidin-4-yl]carbamate

tert-butyl N-[1-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]piperidin-4-yl]carbamate (PubChem CID 95300418) has the molecular formula C17H31N3O3 and a molecular weight of 325.45 g/mol. Its IUPAC name is tert-butyl N-[1-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]piperidin-4-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]piperidin-4-yl]carbamate
PubChem CID95300418
Molecular FormulaC17H31N3O3
Molecular Weight325.45 g/mol
Exact Mass325.24
IUPAC Nametert-butyl N-[1-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]piperidin-4-yl]carbamate
SMILESC[C@@H](C(=O)N1CCCC1)N1CCC(NC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C17H31N3O3/c1-13(15(21)20-9-5-6-10-20)19-11-7-14(8-12-19)18-16(22)23-17(2,3)4/h13-14H,5-12H2,1-4H3,(H,18,22)/t13-/m0/s1
InChIKeyPPASSDHTYKFBMB-ZDUSSCGKSA-N
XLogP1.99
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.45
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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-(cyclopentylamino)-1-oxopropan-2-yl]piperidin-4-yl]carbamate
CID 94147044
tert-butyl N-[1-(pyrrolidine-1-carbonyl)piperidin-4-yl]carbamate
CID 46318296
tert-butyl N-[1-[1-[(4-methylcyclohexyl)amino]-1-oxopropan-2-yl]piperidin-4-yl]carbamate
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tert-butyl N-[1-[(2R)-2-(dimethylamino)-3-methylbutanoyl]piperidin-4-yl]carbamate
CID 95155324
tert-butyl N-(1-acetylazepan-4-yl)carbamate
CID 123656997
4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylic acid
CID 18784768
tert-butyl N-[1-(azepan-1-yl)-1-oxopropan-2-yl]carbamate
CID 24689322
methyl 1-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)piperidine-4-carboxylate
CID 60638892
tert-butyl N-(1-methylpiperidin-4-yl)carbamate;ethane
CID 142994161
tert-butyl N-[1-[1-(2-methylanilino)-1-oxopropan-2-yl]piperidin-4-yl]carbamate
CID 60513191
4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-sulfinic acid
CID 19706124

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]piperidin-4-yl]carbamate?
The IUPAC name of tert-butyl N-[1-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]piperidin-4-yl]carbamate (CID 95300418) is tert-butyl N-[1-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]piperidin-4-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]piperidin-4-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]piperidin-4-yl]carbamate is C[C@@H](C(=O)N1CCCC1)N1CCC(NC(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl N-[1-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]piperidin-4-yl]carbamate?
The InChIKey is PPASSDHTYKFBMB-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H31N3O3/c1-13(15(21)20-9-5-6-10-20)19-11-7-14(8-12-19)18-16(22)23-17(2,3)4/h13-14H,5-12H2,1-4H3,(H,18,22)/t13-/m0/s1.
What are the key properties of tert-butyl N-[1-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]piperidin-4-yl]carbamate?
tert-butyl N-[1-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]piperidin-4-yl]carbamate has a molecular weight of 325.45 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]piperidin-4-yl]carbamate is sourced from PubChem (CID 95300418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).