tert-butyl N-[2-oxo-2-[4-(pyridin-3-ylamino)piperidin-1-yl]ethyl]-N-phenylcarbamate

C23H30N4O3 — CID 22499476

IUPACtert-butyl N-[2-oxo-2-[4-(pyridin-3-ylamino)piperidin-1-yl]ethyl]-N-phenylcarbamate
SMILESCC(C)(C)OC(=O)N(CC(=O)N1CCC(Nc2cccnc2)CC1)c1ccccc1
InChIInChI=1S/C23H30N4O3/c1-23(2,3)30-22(29)27(20-9-5-4-6-10-20)17-21(28)26-14-11-18(12-15-26)25-19-8-7-13-24-16-19/h4-10,13,16,18,25H,11-12,14-15,17H2,1-3H3
InChIKeyBUYHTLFUNXEYMG-UHFFFAOYSA-N
MW410.52 g/mol
LogP3.93
Rot. Bonds5

About tert-butyl N-[2-oxo-2-[4-(pyridin-3-ylamino)piperidin-1-yl]ethyl]-N-phenylcarbamate

tert-butyl N-[2-oxo-2-[4-(pyridin-3-ylamino)piperidin-1-yl]ethyl]-N-phenylcarbamate (PubChem CID 22499476) has the molecular formula C23H30N4O3 and a molecular weight of 410.52 g/mol. Its IUPAC name is tert-butyl N-[2-oxo-2-[4-(pyridin-3-ylamino)piperidin-1-yl]ethyl]-N-phenylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[2-oxo-2-[4-(pyridin-3-ylamino)piperidin-1-yl]ethyl]-N-phenylcarbamate
PubChem CID22499476
Molecular FormulaC23H30N4O3
Molecular Weight410.52 g/mol
Exact Mass410.23
IUPAC Nametert-butyl N-[2-oxo-2-[4-(pyridin-3-ylamino)piperidin-1-yl]ethyl]-N-phenylcarbamate
SMILESCC(C)(C)OC(=O)N(CC(=O)N1CCC(Nc2cccnc2)CC1)c1ccccc1
InChIInChI=1S/C23H30N4O3/c1-23(2,3)30-22(29)27(20-9-5-4-6-10-20)17-21(28)26-14-11-18(12-15-26)25-19-8-7-13-24-16-19/h4-10,13,16,18,25H,11-12,14-15,17H2,1-3H3
InChIKeyBUYHTLFUNXEYMG-UHFFFAOYSA-N
XLogP3.93
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.52
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[2-[4-[(6-methyl-2-pyridinyl)oxy]piperidin-1-yl]-2-oxoethyl]-N-phenylcarbamate
CID 22499501
tert-butyl N-[[1-[2-[N-(pyridin-3-ylmethyl)anilino]acetyl]piperidin-4-yl]methyl]carbamate
CID 86971786
3-phenyl-1-[(3R)-3-(pyridin-3-ylamino)pyrrolidin-1-yl]propan-1-one
CID 95107492
N-ethyl-3-(pyridin-3-ylamino)pyrrolidine-1-carboxamide
CID 53185412
tert-butyl N-[2-oxo-2-(4-pyridin-2-yloxypiperidin-1-yl)ethyl]-N-pyridin-2-ylcarbamate
CID 22499456
(4-methyl-3-phenyl-1H-pyrazol-5-yl)-[4-(pyridin-3-ylamino)piperidin-1-yl]methanone
CID 166215037
tert-butyl 4-(pyrimidin-5-ylamino)piperidine-1-carboxylate
CID 67198211
(3R)-N-(2-phenylethyl)-3-(pyridin-3-ylamino)pyrrolidine-1-carboxamide
CID 95107540
2-cyclopentyl-1-[(3R)-3-(pyridin-3-ylamino)pyrrolidin-1-yl]ethanone
CID 95107481
2-cyclopentyl-1-[(3S)-3-(pyridin-3-ylamino)pyrrolidin-1-yl]ethanone
CID 95107482
tert-butyl N-[1-[4-[N-(2-cyanoethyl)anilino]-4-oxobutanoyl]piperidin-4-yl]carbamate
CID 56513571
tert-butyl 4-(pyridin-3-ylmethylamino)piperidine-1-carboxylate
CID 2761049

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-oxo-2-[4-(pyridin-3-ylamino)piperidin-1-yl]ethyl]-N-phenylcarbamate?
The IUPAC name of tert-butyl N-[2-oxo-2-[4-(pyridin-3-ylamino)piperidin-1-yl]ethyl]-N-phenylcarbamate (CID 22499476) is tert-butyl N-[2-oxo-2-[4-(pyridin-3-ylamino)piperidin-1-yl]ethyl]-N-phenylcarbamate.
What is the SMILES notation for tert-butyl N-[2-oxo-2-[4-(pyridin-3-ylamino)piperidin-1-yl]ethyl]-N-phenylcarbamate?
The canonical SMILES for tert-butyl N-[2-oxo-2-[4-(pyridin-3-ylamino)piperidin-1-yl]ethyl]-N-phenylcarbamate is CC(C)(C)OC(=O)N(CC(=O)N1CCC(Nc2cccnc2)CC1)c1ccccc1.
What is the InChIKey of tert-butyl N-[2-oxo-2-[4-(pyridin-3-ylamino)piperidin-1-yl]ethyl]-N-phenylcarbamate?
The InChIKey is BUYHTLFUNXEYMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O3/c1-23(2,3)30-22(29)27(20-9-5-4-6-10-20)17-21(28)26-14-11-18(12-15-26)25-19-8-7-13-24-16-19/h4-10,13,16,18,25H,11-12,14-15,17H2,1-3H3.
What are the key properties of tert-butyl N-[2-oxo-2-[4-(pyridin-3-ylamino)piperidin-1-yl]ethyl]-N-phenylcarbamate?
tert-butyl N-[2-oxo-2-[4-(pyridin-3-ylamino)piperidin-1-yl]ethyl]-N-phenylcarbamate has a molecular weight of 410.52 g/mol, XLogP of 3.93, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-oxo-2-[4-(pyridin-3-ylamino)piperidin-1-yl]ethyl]-N-phenylcarbamate is sourced from PubChem (CID 22499476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).