(1-methylcyclopropyl) 4-[[5-[3-methylpentyl(propanoyl)amino]pyrazin-2-yl]oxymethyl]piperidine-1-carboxylate

C24H38N4O4 — CID 143780664

IUPAC(1-methylcyclopropyl) 4-[[5-[3-methylpentyl(propanoyl)amino]pyrazin-2-yl]oxymethyl]piperidine-1-carboxylate
SMILESCCC(=O)N(CCC(C)CC)c1cnc(OCC2CCN(C(=O)OC3(C)CC3)CC2)cn1
InChIInChI=1S/C24H38N4O4/c1-5-18(3)7-14-28(22(29)6-2)20-15-26-21(16-25-20)31-17-19-8-12-27(13-9-19)23(30)32-24(4)10-11-24/h15-16,18-19H,5-14,17H2,1-4H3
InChIKeyKXZGBHNIAIPVGL-UHFFFAOYSA-N
MW446.59 g/mol
LogP4.44
Rot. Bonds10

About (1-methylcyclopropyl) 4-[[5-[3-methylpentyl(propanoyl)amino]pyrazin-2-yl]oxymethyl]piperidine-1-carboxylate

(1-methylcyclopropyl) 4-[[5-[3-methylpentyl(propanoyl)amino]pyrazin-2-yl]oxymethyl]piperidine-1-carboxylate (PubChem CID 143780664) has the molecular formula C24H38N4O4 and a molecular weight of 446.59 g/mol. Its IUPAC name is (1-methylcyclopropyl) 4-[[5-[3-methylpentyl(propanoyl)amino]pyrazin-2-yl]oxymethyl]piperidine-1-carboxylate.

Molecular Properties

Compound Name(1-methylcyclopropyl) 4-[[5-[3-methylpentyl(propanoyl)amino]pyrazin-2-yl]oxymethyl]piperidine-1-carboxylate
PubChem CID143780664
Molecular FormulaC24H38N4O4
Molecular Weight446.59 g/mol
Exact Mass446.29
IUPAC Name(1-methylcyclopropyl) 4-[[5-[3-methylpentyl(propanoyl)amino]pyrazin-2-yl]oxymethyl]piperidine-1-carboxylate
SMILESCCC(=O)N(CCC(C)CC)c1cnc(OCC2CCN(C(=O)OC3(C)CC3)CC2)cn1
InChIInChI=1S/C24H38N4O4/c1-5-18(3)7-14-28(22(29)6-2)20-15-26-21(16-25-20)31-17-19-8-12-27(13-9-19)23(30)32-24(4)10-11-24/h15-16,18-19H,5-14,17H2,1-4H3
InChIKeyKXZGBHNIAIPVGL-UHFFFAOYSA-N
XLogP4.44
TPSA84.86 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.59
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (1-methylcyclopropyl) 4-[[5-[3-methylpentyl(propanoyl)amino]pyrazin-2-yl]oxymethyl]piperidine-1-carboxylate?
The IUPAC name of (1-methylcyclopropyl) 4-[[5-[3-methylpentyl(propanoyl)amino]pyrazin-2-yl]oxymethyl]piperidine-1-carboxylate (CID 143780664) is (1-methylcyclopropyl) 4-[[5-[3-methylpentyl(propanoyl)amino]pyrazin-2-yl]oxymethyl]piperidine-1-carboxylate.
What is the SMILES notation for (1-methylcyclopropyl) 4-[[5-[3-methylpentyl(propanoyl)amino]pyrazin-2-yl]oxymethyl]piperidine-1-carboxylate?
The canonical SMILES for (1-methylcyclopropyl) 4-[[5-[3-methylpentyl(propanoyl)amino]pyrazin-2-yl]oxymethyl]piperidine-1-carboxylate is CCC(=O)N(CCC(C)CC)c1cnc(OCC2CCN(C(=O)OC3(C)CC3)CC2)cn1.
What is the InChIKey of (1-methylcyclopropyl) 4-[[5-[3-methylpentyl(propanoyl)amino]pyrazin-2-yl]oxymethyl]piperidine-1-carboxylate?
The InChIKey is KXZGBHNIAIPVGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H38N4O4/c1-5-18(3)7-14-28(22(29)6-2)20-15-26-21(16-25-20)31-17-19-8-12-27(13-9-19)23(30)32-24(4)10-11-24/h15-16,18-19H,5-14,17H2,1-4H3.
What are the key properties of (1-methylcyclopropyl) 4-[[5-[3-methylpentyl(propanoyl)amino]pyrazin-2-yl]oxymethyl]piperidine-1-carboxylate?
(1-methylcyclopropyl) 4-[[5-[3-methylpentyl(propanoyl)amino]pyrazin-2-yl]oxymethyl]piperidine-1-carboxylate has a molecular weight of 446.59 g/mol, XLogP of 4.44, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylcyclopropyl) 4-[[5-[3-methylpentyl(propanoyl)amino]pyrazin-2-yl]oxymethyl]piperidine-1-carboxylate is sourced from PubChem (CID 143780664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).