2-methylpropyl 4-[3-morpholin-4-ylpropyl(pyridin-4-ylmethyl)carbamoyl]piperidine-1-carboxylate

C24H38N4O4 — CID 56564473

IUPAC2-methylpropyl 4-[3-morpholin-4-ylpropyl(pyridin-4-ylmethyl)carbamoyl]piperidine-1-carboxylate
SMILESCC(C)COC(=O)N1CCC(C(=O)N(CCCN2CCOCC2)Cc2ccncc2)CC1
InChIInChI=1S/C24H38N4O4/c1-20(2)19-32-24(30)27-12-6-22(7-13-27)23(29)28(18-21-4-8-25-9-5-21)11-3-10-26-14-16-31-17-15-26/h4-5,8-9,20,22H,3,6-7,10-19H2,1-2H3
InChIKeyJGVSKRFYCSGLQG-UHFFFAOYSA-N
MW446.59 g/mol
LogP2.64
Rot. Bonds9

About 2-methylpropyl 4-[3-morpholin-4-ylpropyl(pyridin-4-ylmethyl)carbamoyl]piperidine-1-carboxylate

2-methylpropyl 4-[3-morpholin-4-ylpropyl(pyridin-4-ylmethyl)carbamoyl]piperidine-1-carboxylate (PubChem CID 56564473) has the molecular formula C24H38N4O4 and a molecular weight of 446.59 g/mol. Its IUPAC name is 2-methylpropyl 4-[3-morpholin-4-ylpropyl(pyridin-4-ylmethyl)carbamoyl]piperidine-1-carboxylate.

Molecular Properties

Compound Name2-methylpropyl 4-[3-morpholin-4-ylpropyl(pyridin-4-ylmethyl)carbamoyl]piperidine-1-carboxylate
PubChem CID56564473
Molecular FormulaC24H38N4O4
Molecular Weight446.59 g/mol
Exact Mass446.29
IUPAC Name2-methylpropyl 4-[3-morpholin-4-ylpropyl(pyridin-4-ylmethyl)carbamoyl]piperidine-1-carboxylate
SMILESCC(C)COC(=O)N1CCC(C(=O)N(CCCN2CCOCC2)Cc2ccncc2)CC1
InChIInChI=1S/C24H38N4O4/c1-20(2)19-32-24(30)27-12-6-22(7-13-27)23(29)28(18-21-4-8-25-9-5-21)11-3-10-26-14-16-31-17-15-26/h4-5,8-9,20,22H,3,6-7,10-19H2,1-2H3
InChIKeyJGVSKRFYCSGLQG-UHFFFAOYSA-N
XLogP2.64
TPSA75.21 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.59
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl 4-[3-morpholin-4-ylpropyl(pyridin-4-ylmethyl)carbamoyl]piperidine-1-carboxylate?
The IUPAC name of 2-methylpropyl 4-[3-morpholin-4-ylpropyl(pyridin-4-ylmethyl)carbamoyl]piperidine-1-carboxylate (CID 56564473) is 2-methylpropyl 4-[3-morpholin-4-ylpropyl(pyridin-4-ylmethyl)carbamoyl]piperidine-1-carboxylate.
What is the SMILES notation for 2-methylpropyl 4-[3-morpholin-4-ylpropyl(pyridin-4-ylmethyl)carbamoyl]piperidine-1-carboxylate?
The canonical SMILES for 2-methylpropyl 4-[3-morpholin-4-ylpropyl(pyridin-4-ylmethyl)carbamoyl]piperidine-1-carboxylate is CC(C)COC(=O)N1CCC(C(=O)N(CCCN2CCOCC2)Cc2ccncc2)CC1.
What is the InChIKey of 2-methylpropyl 4-[3-morpholin-4-ylpropyl(pyridin-4-ylmethyl)carbamoyl]piperidine-1-carboxylate?
The InChIKey is JGVSKRFYCSGLQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H38N4O4/c1-20(2)19-32-24(30)27-12-6-22(7-13-27)23(29)28(18-21-4-8-25-9-5-21)11-3-10-26-14-16-31-17-15-26/h4-5,8-9,20,22H,3,6-7,10-19H2,1-2H3.
What are the key properties of 2-methylpropyl 4-[3-morpholin-4-ylpropyl(pyridin-4-ylmethyl)carbamoyl]piperidine-1-carboxylate?
2-methylpropyl 4-[3-morpholin-4-ylpropyl(pyridin-4-ylmethyl)carbamoyl]piperidine-1-carboxylate has a molecular weight of 446.59 g/mol, XLogP of 2.64, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl 4-[3-morpholin-4-ylpropyl(pyridin-4-ylmethyl)carbamoyl]piperidine-1-carboxylate is sourced from PubChem (CID 56564473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).