tert-butyl 4-[4-(5-carbamoyl-1,3-dimethyl-6-oxopyrazin-2-yl)-2-ethylpiperazin-1-yl]piperidine-1-carboxylate

C23H38N6O4 — CID 143445351

IUPACtert-butyl 4-[4-(5-carbamoyl-1,3-dimethyl-6-oxopyrazin-2-yl)-2-ethylpiperazin-1-yl]piperidine-1-carboxylate
SMILESCCC1CN(c2c(C)nc(C(N)=O)c(=O)n2C)CCN1C1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C23H38N6O4/c1-7-16-14-28(20-15(2)25-18(19(24)30)21(31)26(20)6)12-13-29(16)17-8-10-27(11-9-17)22(32)33-23(3,4)5/h16-17H,7-14H2,1-6H3,(H2,24,30)
InChIKeyMPCAJPFBKLSVIE-UHFFFAOYSA-N
MW462.60 g/mol
LogP1.49
Rot. Bonds4

About tert-butyl 4-[4-(5-carbamoyl-1,3-dimethyl-6-oxopyrazin-2-yl)-2-ethylpiperazin-1-yl]piperidine-1-carboxylate

tert-butyl 4-[4-(5-carbamoyl-1,3-dimethyl-6-oxopyrazin-2-yl)-2-ethylpiperazin-1-yl]piperidine-1-carboxylate (PubChem CID 143445351) has the molecular formula C23H38N6O4 and a molecular weight of 462.60 g/mol. Its IUPAC name is tert-butyl 4-[4-(5-carbamoyl-1,3-dimethyl-6-oxopyrazin-2-yl)-2-ethylpiperazin-1-yl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[4-(5-carbamoyl-1,3-dimethyl-6-oxopyrazin-2-yl)-2-ethylpiperazin-1-yl]piperidine-1-carboxylate
PubChem CID143445351
Molecular FormulaC23H38N6O4
Molecular Weight462.60 g/mol
Exact Mass462.30
IUPAC Nametert-butyl 4-[4-(5-carbamoyl-1,3-dimethyl-6-oxopyrazin-2-yl)-2-ethylpiperazin-1-yl]piperidine-1-carboxylate
SMILESCCC1CN(c2c(C)nc(C(N)=O)c(=O)n2C)CCN1C1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C23H38N6O4/c1-7-16-14-28(20-15(2)25-18(19(24)30)21(31)26(20)6)12-13-29(16)17-8-10-27(11-9-17)22(32)33-23(3,4)5/h16-17H,7-14H2,1-6H3,(H2,24,30)
InChIKeyMPCAJPFBKLSVIE-UHFFFAOYSA-N
XLogP1.49
TPSA114.00 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.60
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze tert-butyl 4-[4-(5-carbamoyl-1,3-dimethyl-6-oxopyrazin-2-yl)-2-ethylpiperazin-1-yl]piperidine-1-carboxylate with MolForge

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Related Compounds

lithium;6-[(3S)-4-[1-(2-amino-6-chloropyridine-3-carbonyl)piperidin-4-yl]-3-ethylpiperazin-1-yl]-3-[5-(ethylamino)-1,3,4-oxadiazol-2-yl]-1,5-dimethylpyrazin-2-one;2-amino-6-chloropyridine-3-carboxylate;tert-butyl 4-[(2S)-2-ethyl-4-[5-[5-(ethylamino)-1,3,4-oxadiazol-2-yl]-1,3-dimethyl-6-oxopyrazin-2-yl]piperazin-1-yl]piperidine-1-carboxylate;methane;molecular hydrogen
CID 159687844
tert-butyl 4-[(2S)-2-ethylpiperazin-1-yl]piperidine-1-carboxylate
CID 59427777
tert-butyl 4-[(2S)-4-(5-amino-3-chloro-2-pyridinyl)-2-ethylpiperazin-1-yl]piperidine-1-carboxylate;(2S)-4-[3-chloro-5-(sulfamoylamino)-2-pyridinyl]-1-cyclohexyl-2-ethylpiperazine
CID 159357844
ethyl 5-methyl-1-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]triazole-4-carboxylate
CID 171074856
3-amino-6-chloro-5-[(3S)-4-[1-(2,6-dichloro-5-fluoropyridine-3-carbonyl)piperidin-4-yl]-3-ethylpiperazin-1-yl]pyrazine-2-carboxamide
CID 58767430
2-[(3S)-4-[1-(2-amino-6-chloropyridine-3-carbonyl)piperidin-4-yl]-3-ethylpiperazin-1-yl]-3-methylpyrido[2,3-d]pyrimidin-4-one
CID 88567657
tert-butyl 4-(2-ethylimidazol-1-yl)piperidine-1-carboxylate
CID 23084136
5-ethyl-1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]triazole-4-carboxylic acid
CID 125452272
tert-butyl (3R,4R)-4-amino-3-ethylpiperidine-1-carboxylate;hydrochloride
CID 127264231
tert-butyl 4-[2-(2-methyltetrazol-5-yl)pyrrolidin-1-yl]piperidine-1-carboxylate
CID 135144922
2-(3-ethyl-4-piperidin-4-ylpiperazin-1-yl)-3-methylpyrido[2,3-d]pyrimidin-4-one
CID 77398088
tert-butyl 4-(3-amino-4-carbamoylpyrazol-1-yl)piperidine-1-carboxylate
CID 177209110

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[4-(5-carbamoyl-1,3-dimethyl-6-oxopyrazin-2-yl)-2-ethylpiperazin-1-yl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[4-(5-carbamoyl-1,3-dimethyl-6-oxopyrazin-2-yl)-2-ethylpiperazin-1-yl]piperidine-1-carboxylate (CID 143445351) is tert-butyl 4-[4-(5-carbamoyl-1,3-dimethyl-6-oxopyrazin-2-yl)-2-ethylpiperazin-1-yl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[4-(5-carbamoyl-1,3-dimethyl-6-oxopyrazin-2-yl)-2-ethylpiperazin-1-yl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[4-(5-carbamoyl-1,3-dimethyl-6-oxopyrazin-2-yl)-2-ethylpiperazin-1-yl]piperidine-1-carboxylate is CCC1CN(c2c(C)nc(C(N)=O)c(=O)n2C)CCN1C1CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-[4-(5-carbamoyl-1,3-dimethyl-6-oxopyrazin-2-yl)-2-ethylpiperazin-1-yl]piperidine-1-carboxylate?
The InChIKey is MPCAJPFBKLSVIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H38N6O4/c1-7-16-14-28(20-15(2)25-18(19(24)30)21(31)26(20)6)12-13-29(16)17-8-10-27(11-9-17)22(32)33-23(3,4)5/h16-17H,7-14H2,1-6H3,(H2,24,30).
What are the key properties of tert-butyl 4-[4-(5-carbamoyl-1,3-dimethyl-6-oxopyrazin-2-yl)-2-ethylpiperazin-1-yl]piperidine-1-carboxylate?
tert-butyl 4-[4-(5-carbamoyl-1,3-dimethyl-6-oxopyrazin-2-yl)-2-ethylpiperazin-1-yl]piperidine-1-carboxylate has a molecular weight of 462.60 g/mol, XLogP of 1.49, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[4-(5-carbamoyl-1,3-dimethyl-6-oxopyrazin-2-yl)-2-ethylpiperazin-1-yl]piperidine-1-carboxylate is sourced from PubChem (CID 143445351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).