(2-amino-2-oxoethyl) N-[2-[1-(4-phenyl-2-pyridinyl)piperidin-4-yl]ethyl]carbamate

C21H26N4O3 — CID 68573837

IUPAC(2-amino-2-oxoethyl) N-[2-[1-(4-phenyl-2-pyridinyl)piperidin-4-yl]ethyl]carbamate
SMILESNC(=O)COC(=O)NCCC1CCN(c2cc(-c3ccccc3)ccn2)CC1
InChIInChI=1S/C21H26N4O3/c22-19(26)15-28-21(27)24-10-6-16-8-12-25(13-9-16)20-14-18(7-11-23-20)17-4-2-1-3-5-17/h1-5,7,11,14,16H,6,8-10,12-13,15H2,(H2,22,26)(H,24,27)
InChIKeyAKABIKXTNAKLIS-UHFFFAOYSA-N
MW382.46 g/mol
LogP2.57
Rot. Bonds7

About (2-amino-2-oxoethyl) N-[2-[1-(4-phenyl-2-pyridinyl)piperidin-4-yl]ethyl]carbamate

(2-amino-2-oxoethyl) N-[2-[1-(4-phenyl-2-pyridinyl)piperidin-4-yl]ethyl]carbamate (PubChem CID 68573837) has the molecular formula C21H26N4O3 and a molecular weight of 382.46 g/mol. Its IUPAC name is (2-amino-2-oxoethyl) N-[2-[1-(4-phenyl-2-pyridinyl)piperidin-4-yl]ethyl]carbamate.

Molecular Properties

Compound Name(2-amino-2-oxoethyl) N-[2-[1-(4-phenyl-2-pyridinyl)piperidin-4-yl]ethyl]carbamate
PubChem CID68573837
Molecular FormulaC21H26N4O3
Molecular Weight382.46 g/mol
Exact Mass382.20
IUPAC Name(2-amino-2-oxoethyl) N-[2-[1-(4-phenyl-2-pyridinyl)piperidin-4-yl]ethyl]carbamate
SMILESNC(=O)COC(=O)NCCC1CCN(c2cc(-c3ccccc3)ccn2)CC1
InChIInChI=1S/C21H26N4O3/c22-19(26)15-28-21(27)24-10-6-16-8-12-25(13-9-16)20-14-18(7-11-23-20)17-4-2-1-3-5-17/h1-5,7,11,14,16H,6,8-10,12-13,15H2,(H2,22,26)(H,24,27)
InChIKeyAKABIKXTNAKLIS-UHFFFAOYSA-N
XLogP2.57
TPSA97.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2-amino-2-oxoethyl) N-[2-[1-[5-(4-fluorophenyl)-2-pyridinyl]piperidin-4-yl]ethyl]carbamate
CID 68574069
benzyl N-[2-[1-(4-naphthalen-2-ylpyrimidin-2-yl)piperidin-4-yl]ethyl]carbamate
CID 90986865
[2-(methylamino)-2-oxoethyl] N-[2-[1-(6-cyclopropyl-2-pyridinyl)piperidin-4-yl]ethyl]carbamate
CID 68574272
(2-amino-2-oxoethyl) 3-[1-(6-phenylpyridazin-3-yl)piperidin-4-yl]propanoate
CID 58032724
(2-amino-2-oxoethyl) 3-[1-(4-phenylpyrimidin-2-yl)piperidin-4-yl]propanoate
CID 58032701
(2-amino-2-oxoethyl) N-[[1-(5-chloro-2-pyridinyl)piperidin-4-yl]methyl]carbamate
CID 68573821
(2-amino-2-oxoethyl) N-[[1-(5-methyl-2-pyridinyl)piperidin-4-yl]methyl]carbamate
CID 68574049
1,3-thiazol-4-ylmethyl N-[2-[1-[5-(4-fluorophenyl)-2-pyridinyl]piperidin-4-yl]ethyl]carbamate
CID 44623659
(2-amino-2-oxoethyl) N-[[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]methyl]carbamate
CID 68573795
1,3-thiazol-4-ylmethyl N-[2-[1-[6-[3-(dimethylcarbamoyl)phenyl]-2-pyridinyl]piperidin-4-yl]ethyl]carbamate
CID 140567371
4-phenyl-6-[4-[2-(sulfamoylamino)ethyl]piperidin-1-yl]pyrimidine
CID 134145904
2-[1-[6-(4-sulfamoylphenyl)-2-pyridinyl]piperidin-4-yl]ethylcarbamic acid
CID 89454479

Frequently Asked Questions

What is the IUPAC name of (2-amino-2-oxoethyl) N-[2-[1-(4-phenyl-2-pyridinyl)piperidin-4-yl]ethyl]carbamate?
The IUPAC name of (2-amino-2-oxoethyl) N-[2-[1-(4-phenyl-2-pyridinyl)piperidin-4-yl]ethyl]carbamate (CID 68573837) is (2-amino-2-oxoethyl) N-[2-[1-(4-phenyl-2-pyridinyl)piperidin-4-yl]ethyl]carbamate.
What is the SMILES notation for (2-amino-2-oxoethyl) N-[2-[1-(4-phenyl-2-pyridinyl)piperidin-4-yl]ethyl]carbamate?
The canonical SMILES for (2-amino-2-oxoethyl) N-[2-[1-(4-phenyl-2-pyridinyl)piperidin-4-yl]ethyl]carbamate is NC(=O)COC(=O)NCCC1CCN(c2cc(-c3ccccc3)ccn2)CC1.
What is the InChIKey of (2-amino-2-oxoethyl) N-[2-[1-(4-phenyl-2-pyridinyl)piperidin-4-yl]ethyl]carbamate?
The InChIKey is AKABIKXTNAKLIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O3/c22-19(26)15-28-21(27)24-10-6-16-8-12-25(13-9-16)20-14-18(7-11-23-20)17-4-2-1-3-5-17/h1-5,7,11,14,16H,6,8-10,12-13,15H2,(H2,22,26)(H,24,27).
What are the key properties of (2-amino-2-oxoethyl) N-[2-[1-(4-phenyl-2-pyridinyl)piperidin-4-yl]ethyl]carbamate?
(2-amino-2-oxoethyl) N-[2-[1-(4-phenyl-2-pyridinyl)piperidin-4-yl]ethyl]carbamate has a molecular weight of 382.46 g/mol, XLogP of 2.57, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-2-oxoethyl) N-[2-[1-(4-phenyl-2-pyridinyl)piperidin-4-yl]ethyl]carbamate is sourced from PubChem (CID 68573837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).