[2-(methylamino)-2-oxoethyl] N-[2-[4-[6-(4-methoxyphenyl)-2-pyridinyl]piperazin-1-yl]ethyl]carbamate

C22H29N5O4 — CID 123803050

IUPAC[2-(methylamino)-2-oxoethyl] N-[2-[4-[6-(4-methoxyphenyl)-2-pyridinyl]piperazin-1-yl]ethyl]carbamate
SMILESCNC(=O)COC(=O)NCCN1CCN(c2cccc(-c3ccc(OC)cc3)n2)CC1
InChIInChI=1S/C22H29N5O4/c1-23-21(28)16-31-22(29)24-10-11-26-12-14-27(15-13-26)20-5-3-4-19(25-20)17-6-8-18(30-2)9-7-17/h3-9H,10-16H2,1-2H3,(H,23,28)(H,24,29)
InChIKeyXCJXYGBPDYADJS-UHFFFAOYSA-N
MW427.51 g/mol
LogP1.35
Rot. Bonds8

About [2-(methylamino)-2-oxoethyl] N-[2-[4-[6-(4-methoxyphenyl)-2-pyridinyl]piperazin-1-yl]ethyl]carbamate

[2-(methylamino)-2-oxoethyl] N-[2-[4-[6-(4-methoxyphenyl)-2-pyridinyl]piperazin-1-yl]ethyl]carbamate (PubChem CID 123803050) has the molecular formula C22H29N5O4 and a molecular weight of 427.51 g/mol. Its IUPAC name is [2-(methylamino)-2-oxoethyl] N-[2-[4-[6-(4-methoxyphenyl)-2-pyridinyl]piperazin-1-yl]ethyl]carbamate.

Molecular Properties

Compound Name[2-(methylamino)-2-oxoethyl] N-[2-[4-[6-(4-methoxyphenyl)-2-pyridinyl]piperazin-1-yl]ethyl]carbamate
PubChem CID123803050
Molecular FormulaC22H29N5O4
Molecular Weight427.51 g/mol
Exact Mass427.22
IUPAC Name[2-(methylamino)-2-oxoethyl] N-[2-[4-[6-(4-methoxyphenyl)-2-pyridinyl]piperazin-1-yl]ethyl]carbamate
SMILESCNC(=O)COC(=O)NCCN1CCN(c2cccc(-c3ccc(OC)cc3)n2)CC1
InChIInChI=1S/C22H29N5O4/c1-23-21(28)16-31-22(29)24-10-11-26-12-14-27(15-13-26)20-5-3-4-19(25-20)17-6-8-18(30-2)9-7-17/h3-9H,10-16H2,1-2H3,(H,23,28)(H,24,29)
InChIKeyXCJXYGBPDYADJS-UHFFFAOYSA-N
XLogP1.35
TPSA96.03 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.51
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-oxobutyl 4-[4-[6-(4-methoxyphenyl)-2-pyridinyl]piperazin-1-yl]butanoate
CID 123522341
[2-(methylamino)-2-oxoethyl] N-[2-[1-(6-cyclopropyl-2-pyridinyl)piperidin-4-yl]ethyl]carbamate
CID 68574272
ethyl N-[2-[4-(7-methoxynaphthalen-1-yl)piperazin-1-yl]ethyl]carbamate;hydrochloride
CID 19808500
N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]-2-(4-phenylphenyl)acetamide
CID 42266407
2-oxopropyl 4-[4-[6-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]piperazin-1-yl]butanoate
CID 123516477
3-(4-methoxyphenyl)-N-(2-pyrrolidin-1-ylethyl)-1H-pyrazole-5-carboxamide
CID 70721553
(2-amino-2-oxoethyl) N-[2-[4-[5-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]piperazin-1-yl]ethyl]carbamate
CID 123162350
4-methoxy-N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]benzamide
CID 30885248
4-[4-[6-(1,1,3,3-tetramethyl-2H-inden-5-yl)-2-pyridinyl]piperazin-1-yl]butan-1-ol
CID 53250708
4-[4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazin-1-yl]butan-1-ol
CID 53250556
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-2-(4-methoxyphenoxy)acetamide
CID 42266721
3-methoxy-N-[2-[4-(4-methyl-2-pyridinyl)piperazin-1-yl]ethyl]benzamide;dihydrochloride
CID 71449110

Frequently Asked Questions

What is the IUPAC name of [2-(methylamino)-2-oxoethyl] N-[2-[4-[6-(4-methoxyphenyl)-2-pyridinyl]piperazin-1-yl]ethyl]carbamate?
The IUPAC name of [2-(methylamino)-2-oxoethyl] N-[2-[4-[6-(4-methoxyphenyl)-2-pyridinyl]piperazin-1-yl]ethyl]carbamate (CID 123803050) is [2-(methylamino)-2-oxoethyl] N-[2-[4-[6-(4-methoxyphenyl)-2-pyridinyl]piperazin-1-yl]ethyl]carbamate.
What is the SMILES notation for [2-(methylamino)-2-oxoethyl] N-[2-[4-[6-(4-methoxyphenyl)-2-pyridinyl]piperazin-1-yl]ethyl]carbamate?
The canonical SMILES for [2-(methylamino)-2-oxoethyl] N-[2-[4-[6-(4-methoxyphenyl)-2-pyridinyl]piperazin-1-yl]ethyl]carbamate is CNC(=O)COC(=O)NCCN1CCN(c2cccc(-c3ccc(OC)cc3)n2)CC1.
What is the InChIKey of [2-(methylamino)-2-oxoethyl] N-[2-[4-[6-(4-methoxyphenyl)-2-pyridinyl]piperazin-1-yl]ethyl]carbamate?
The InChIKey is XCJXYGBPDYADJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N5O4/c1-23-21(28)16-31-22(29)24-10-11-26-12-14-27(15-13-26)20-5-3-4-19(25-20)17-6-8-18(30-2)9-7-17/h3-9H,10-16H2,1-2H3,(H,23,28)(H,24,29).
What are the key properties of [2-(methylamino)-2-oxoethyl] N-[2-[4-[6-(4-methoxyphenyl)-2-pyridinyl]piperazin-1-yl]ethyl]carbamate?
[2-(methylamino)-2-oxoethyl] N-[2-[4-[6-(4-methoxyphenyl)-2-pyridinyl]piperazin-1-yl]ethyl]carbamate has a molecular weight of 427.51 g/mol, XLogP of 1.35, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(methylamino)-2-oxoethyl] N-[2-[4-[6-(4-methoxyphenyl)-2-pyridinyl]piperazin-1-yl]ethyl]carbamate is sourced from PubChem (CID 123803050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).