tert-butyl N-[(2S)-1-oxo-1-(4-pyridin-4-yloxypiperidin-1-yl)propan-2-yl]carbamate

C18H27N3O4 — CID 124727874

IUPACtert-butyl N-[(2S)-1-oxo-1-(4-pyridin-4-yloxypiperidin-1-yl)propan-2-yl]carbamate
SMILESC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(Oc2ccncc2)CC1
InChIInChI=1S/C18H27N3O4/c1-13(20-17(23)25-18(2,3)4)16(22)21-11-7-15(8-12-21)24-14-5-9-19-10-6-14/h5-6,9-10,13,15H,7-8,11-12H2,1-4H3,(H,20,23)/t13-/m0/s1
InChIKeyUPOUKFOMFFBWSC-ZDUSSCGKSA-N
MW349.43 g/mol
LogP2.36
Rot. Bonds4

About tert-butyl N-[(2S)-1-oxo-1-(4-pyridin-4-yloxypiperidin-1-yl)propan-2-yl]carbamate

tert-butyl N-[(2S)-1-oxo-1-(4-pyridin-4-yloxypiperidin-1-yl)propan-2-yl]carbamate (PubChem CID 124727874) has the molecular formula C18H27N3O4 and a molecular weight of 349.43 g/mol. Its IUPAC name is tert-butyl N-[(2S)-1-oxo-1-(4-pyridin-4-yloxypiperidin-1-yl)propan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2S)-1-oxo-1-(4-pyridin-4-yloxypiperidin-1-yl)propan-2-yl]carbamate
PubChem CID124727874
Molecular FormulaC18H27N3O4
Molecular Weight349.43 g/mol
Exact Mass349.20
IUPAC Nametert-butyl N-[(2S)-1-oxo-1-(4-pyridin-4-yloxypiperidin-1-yl)propan-2-yl]carbamate
SMILESC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(Oc2ccncc2)CC1
InChIInChI=1S/C18H27N3O4/c1-13(20-17(23)25-18(2,3)4)16(22)21-11-7-15(8-12-21)24-14-5-9-19-10-6-14/h5-6,9-10,13,15H,7-8,11-12H2,1-4H3,(H,20,23)/t13-/m0/s1
InChIKeyUPOUKFOMFFBWSC-ZDUSSCGKSA-N
XLogP2.36
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[1-[4-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]-1-oxopropan-2-yl]carbamate
CID 121017862
tert-butyl N-[1-[4-(4-methylbenzoyl)piperidin-1-yl]-1-oxopropan-2-yl]carbamate
CID 55956466
N-[(2S)-4-methyl-1-oxo-1-(4-pyridin-4-yloxypiperidin-1-yl)pentan-2-yl]acetamide
CID 118762858
[(2S)-1-oxo-1-[4-[4-(trifluoromethoxy)phenoxy]piperidin-1-yl]propan-2-yl]carbamic acid
CID 67529467
tert-butyl N-[(2S)-1-[4-[(3-fluoro-2-pyridinyl)oxy]piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate
CID 90803087
tert-butyl N-[1-oxo-1-[4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-yl]oxypiperidin-1-yl]propan-2-yl]carbamate
CID 71633505
tert-butyl N-[(2S)-3-methyl-1-oxo-1-[4-(2-phenylpyrimidin-5-yl)oxypiperidin-1-yl]butan-2-yl]carbamate
CID 91345878
tert-butyl N-[1-(4-carbamoylpiperidin-1-yl)-1-oxopropan-2-yl]carbamate
CID 24688681
bis(tert-butyl 4-(1-propan-2-ylpyridin-1-ium-4-yl)oxypiperidine-1-carboxylate);4-pyridin-4-yloxypiperidine-1-carboxylate;iodide
CID 173184966
2,2-dimethyl-1-[(3R)-3-pyridin-4-yloxypyrrolidin-1-yl]propan-1-one
CID 124568628
tert-butyl N-[1-[4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]-1-oxopropan-2-yl]carbamate
CID 55560757
tert-butyl N-[1-(azepan-1-yl)-1-oxopropan-2-yl]carbamate
CID 24689322

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2S)-1-oxo-1-(4-pyridin-4-yloxypiperidin-1-yl)propan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(2S)-1-oxo-1-(4-pyridin-4-yloxypiperidin-1-yl)propan-2-yl]carbamate (CID 124727874) is tert-butyl N-[(2S)-1-oxo-1-(4-pyridin-4-yloxypiperidin-1-yl)propan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2S)-1-oxo-1-(4-pyridin-4-yloxypiperidin-1-yl)propan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2S)-1-oxo-1-(4-pyridin-4-yloxypiperidin-1-yl)propan-2-yl]carbamate is C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(Oc2ccncc2)CC1.
What is the InChIKey of tert-butyl N-[(2S)-1-oxo-1-(4-pyridin-4-yloxypiperidin-1-yl)propan-2-yl]carbamate?
The InChIKey is UPOUKFOMFFBWSC-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H27N3O4/c1-13(20-17(23)25-18(2,3)4)16(22)21-11-7-15(8-12-21)24-14-5-9-19-10-6-14/h5-6,9-10,13,15H,7-8,11-12H2,1-4H3,(H,20,23)/t13-/m0/s1.
What are the key properties of tert-butyl N-[(2S)-1-oxo-1-(4-pyridin-4-yloxypiperidin-1-yl)propan-2-yl]carbamate?
tert-butyl N-[(2S)-1-oxo-1-(4-pyridin-4-yloxypiperidin-1-yl)propan-2-yl]carbamate has a molecular weight of 349.43 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2S)-1-oxo-1-(4-pyridin-4-yloxypiperidin-1-yl)propan-2-yl]carbamate is sourced from PubChem (CID 124727874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).