methyl 5-[[3,5-di(propan-2-yloxy)phenyl]methyl-piperidin-4-ylamino]pyrazine-2-carboxylate

C24H34N4O4 — CID 68956731

IUPACmethyl 5-[[3,5-di(propan-2-yloxy)phenyl]methyl-piperidin-4-ylamino]pyrazine-2-carboxylate
SMILESCOC(=O)c1cnc(N(Cc2cc(OC(C)C)cc(OC(C)C)c2)C2CCNCC2)cn1
InChIInChI=1S/C24H34N4O4/c1-16(2)31-20-10-18(11-21(12-20)32-17(3)4)15-28(19-6-8-25-9-7-19)23-14-26-22(13-27-23)24(29)30-5/h10-14,16-17,19,25H,6-9,15H2,1-5H3
InChIKeyZYMPNYNFCDLCFT-UHFFFAOYSA-N
MW442.56 g/mol
LogP3.60
Rot. Bonds9

About methyl 5-[[3,5-di(propan-2-yloxy)phenyl]methyl-piperidin-4-ylamino]pyrazine-2-carboxylate

methyl 5-[[3,5-di(propan-2-yloxy)phenyl]methyl-piperidin-4-ylamino]pyrazine-2-carboxylate (PubChem CID 68956731) has the molecular formula C24H34N4O4 and a molecular weight of 442.56 g/mol. Its IUPAC name is methyl 5-[[3,5-di(propan-2-yloxy)phenyl]methyl-piperidin-4-ylamino]pyrazine-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[[3,5-di(propan-2-yloxy)phenyl]methyl-piperidin-4-ylamino]pyrazine-2-carboxylate
PubChem CID68956731
Molecular FormulaC24H34N4O4
Molecular Weight442.56 g/mol
Exact Mass442.26
IUPAC Namemethyl 5-[[3,5-di(propan-2-yloxy)phenyl]methyl-piperidin-4-ylamino]pyrazine-2-carboxylate
SMILESCOC(=O)c1cnc(N(Cc2cc(OC(C)C)cc(OC(C)C)c2)C2CCNCC2)cn1
InChIInChI=1S/C24H34N4O4/c1-16(2)31-20-10-18(11-21(12-20)32-17(3)4)15-28(19-6-8-25-9-7-19)23-14-26-22(13-27-23)24(29)30-5/h10-14,16-17,19,25H,6-9,15H2,1-5H3
InChIKeyZYMPNYNFCDLCFT-UHFFFAOYSA-N
XLogP3.60
TPSA85.81 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.56
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze methyl 5-[[3,5-di(propan-2-yloxy)phenyl]methyl-piperidin-4-ylamino]pyrazine-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-[[3,5-di(propan-2-yloxy)phenyl]methyl-piperidin-4-ylamino]pyrimidine-4-carboxylate
CID 69152755
6-[(3,5-diethoxyphenyl)methyl-piperidin-4-ylamino]pyridine-3-carboxylic acid
CID 68860523
ethyl 2-[2,4-dichloro-6-[[3,5-di(propan-2-yloxy)phenyl]methyl-piperidin-4-ylamino]pyrimidin-5-yl]acetate
CID 87596992
N-[[3,5-di(propan-2-yloxy)phenyl]methyl]-N-piperidin-4-yl-5-propoxy-1,3-benzoxazol-2-amine
CID 69107545
6-[(3,5-diethoxyphenyl)methyl-piperidin-4-ylamino]pyridine-3-carbonitrile
CID 68862540
methyl 5-(piperidin-4-ylamino)pyrazine-2-carboxylate;hydrochloride
CID 172829952
methyl 2-[(3-ethoxy-4-methylphenyl)methyl-piperidin-4-ylamino]pyrimidine-4-carboxylate
CID 69152008
ethyl 6-[(3-ethoxy-4-methoxyphenyl)methyl-piperidin-4-ylamino]pyridine-3-carboxylate
CID 68860852
methyl 5-[methyl(4-methylpentan-2-yl)amino]pyrazine-2-carboxylate
CID 114059762
1-[1-[[3,5-di(propan-2-yloxy)phenyl]methyl]piperidin-4-yl]-1,2-bis[5-(4-methoxyphenyl)pyrimidin-2-yl]-2-piperidin-4-ylhydrazine
CID 68963001
methyl 6-[[piperidin-4-yl(propyl)amino]methyl]pyridine-2-carboxylate
CID 106905056
2-piperidin-4-yl-1-(5-propan-2-yloxy-3-pyridinyl)ethanone
CID 116559903

Frequently Asked Questions

What is the IUPAC name of methyl 5-[[3,5-di(propan-2-yloxy)phenyl]methyl-piperidin-4-ylamino]pyrazine-2-carboxylate?
The IUPAC name of methyl 5-[[3,5-di(propan-2-yloxy)phenyl]methyl-piperidin-4-ylamino]pyrazine-2-carboxylate (CID 68956731) is methyl 5-[[3,5-di(propan-2-yloxy)phenyl]methyl-piperidin-4-ylamino]pyrazine-2-carboxylate.
What is the SMILES notation for methyl 5-[[3,5-di(propan-2-yloxy)phenyl]methyl-piperidin-4-ylamino]pyrazine-2-carboxylate?
The canonical SMILES for methyl 5-[[3,5-di(propan-2-yloxy)phenyl]methyl-piperidin-4-ylamino]pyrazine-2-carboxylate is COC(=O)c1cnc(N(Cc2cc(OC(C)C)cc(OC(C)C)c2)C2CCNCC2)cn1.
What is the InChIKey of methyl 5-[[3,5-di(propan-2-yloxy)phenyl]methyl-piperidin-4-ylamino]pyrazine-2-carboxylate?
The InChIKey is ZYMPNYNFCDLCFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N4O4/c1-16(2)31-20-10-18(11-21(12-20)32-17(3)4)15-28(19-6-8-25-9-7-19)23-14-26-22(13-27-23)24(29)30-5/h10-14,16-17,19,25H,6-9,15H2,1-5H3.
What are the key properties of methyl 5-[[3,5-di(propan-2-yloxy)phenyl]methyl-piperidin-4-ylamino]pyrazine-2-carboxylate?
methyl 5-[[3,5-di(propan-2-yloxy)phenyl]methyl-piperidin-4-ylamino]pyrazine-2-carboxylate has a molecular weight of 442.56 g/mol, XLogP of 3.60, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[[3,5-di(propan-2-yloxy)phenyl]methyl-piperidin-4-ylamino]pyrazine-2-carboxylate is sourced from PubChem (CID 68956731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).