2-(4-methylpiperidin-1-yl)-N-[2-[2-morpholin-4-yl-5-(pyrrolidine-1-carbonyl)pyrimidin-4-yl]ethyl]acetamide

C23H36N6O3 — CID 92619497

IUPAC2-(4-methylpiperidin-1-yl)-N-[2-[2-morpholin-4-yl-5-(pyrrolidine-1-carbonyl)pyrimidin-4-yl]ethyl]acetamide
SMILESCC1CCN(CC(=O)NCCc2nc(N3CCOCC3)ncc2C(=O)N2CCCC2)CC1
InChIInChI=1S/C23H36N6O3/c1-18-5-10-27(11-6-18)17-21(30)24-7-4-20-19(22(31)28-8-2-3-9-28)16-25-23(26-20)29-12-14-32-15-13-29/h16,18H,2-15,17H2,1H3,(H,24,30)
InChIKeySCXDWYWUIORPMT-UHFFFAOYSA-N
MW444.58 g/mol
LogP0.94
Rot. Bonds7

About 2-(4-methylpiperidin-1-yl)-N-[2-[2-morpholin-4-yl-5-(pyrrolidine-1-carbonyl)pyrimidin-4-yl]ethyl]acetamide

2-(4-methylpiperidin-1-yl)-N-[2-[2-morpholin-4-yl-5-(pyrrolidine-1-carbonyl)pyrimidin-4-yl]ethyl]acetamide (PubChem CID 92619497) has the molecular formula C23H36N6O3 and a molecular weight of 444.58 g/mol. Its IUPAC name is 2-(4-methylpiperidin-1-yl)-N-[2-[2-morpholin-4-yl-5-(pyrrolidine-1-carbonyl)pyrimidin-4-yl]ethyl]acetamide.

Molecular Properties

Compound Name2-(4-methylpiperidin-1-yl)-N-[2-[2-morpholin-4-yl-5-(pyrrolidine-1-carbonyl)pyrimidin-4-yl]ethyl]acetamide
PubChem CID92619497
Molecular FormulaC23H36N6O3
Molecular Weight444.58 g/mol
Exact Mass444.28
IUPAC Name2-(4-methylpiperidin-1-yl)-N-[2-[2-morpholin-4-yl-5-(pyrrolidine-1-carbonyl)pyrimidin-4-yl]ethyl]acetamide
SMILESCC1CCN(CC(=O)NCCc2nc(N3CCOCC3)ncc2C(=O)N2CCCC2)CC1
InChIInChI=1S/C23H36N6O3/c1-18-5-10-27(11-6-18)17-21(30)24-7-4-20-19(22(31)28-8-2-3-9-28)16-25-23(26-20)29-12-14-32-15-13-29/h16,18H,2-15,17H2,1H3,(H,24,30)
InChIKeySCXDWYWUIORPMT-UHFFFAOYSA-N
XLogP0.94
TPSA90.90 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.58
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpiperidin-1-yl)-N-[2-[2-morpholin-4-yl-5-(pyrrolidine-1-carbonyl)pyrimidin-4-yl]ethyl]acetamide?
The IUPAC name of 2-(4-methylpiperidin-1-yl)-N-[2-[2-morpholin-4-yl-5-(pyrrolidine-1-carbonyl)pyrimidin-4-yl]ethyl]acetamide (CID 92619497) is 2-(4-methylpiperidin-1-yl)-N-[2-[2-morpholin-4-yl-5-(pyrrolidine-1-carbonyl)pyrimidin-4-yl]ethyl]acetamide.
What is the SMILES notation for 2-(4-methylpiperidin-1-yl)-N-[2-[2-morpholin-4-yl-5-(pyrrolidine-1-carbonyl)pyrimidin-4-yl]ethyl]acetamide?
The canonical SMILES for 2-(4-methylpiperidin-1-yl)-N-[2-[2-morpholin-4-yl-5-(pyrrolidine-1-carbonyl)pyrimidin-4-yl]ethyl]acetamide is CC1CCN(CC(=O)NCCc2nc(N3CCOCC3)ncc2C(=O)N2CCCC2)CC1.
What is the InChIKey of 2-(4-methylpiperidin-1-yl)-N-[2-[2-morpholin-4-yl-5-(pyrrolidine-1-carbonyl)pyrimidin-4-yl]ethyl]acetamide?
The InChIKey is SCXDWYWUIORPMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H36N6O3/c1-18-5-10-27(11-6-18)17-21(30)24-7-4-20-19(22(31)28-8-2-3-9-28)16-25-23(26-20)29-12-14-32-15-13-29/h16,18H,2-15,17H2,1H3,(H,24,30).
What are the key properties of 2-(4-methylpiperidin-1-yl)-N-[2-[2-morpholin-4-yl-5-(pyrrolidine-1-carbonyl)pyrimidin-4-yl]ethyl]acetamide?
2-(4-methylpiperidin-1-yl)-N-[2-[2-morpholin-4-yl-5-(pyrrolidine-1-carbonyl)pyrimidin-4-yl]ethyl]acetamide has a molecular weight of 444.58 g/mol, XLogP of 0.94, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpiperidin-1-yl)-N-[2-[2-morpholin-4-yl-5-(pyrrolidine-1-carbonyl)pyrimidin-4-yl]ethyl]acetamide is sourced from PubChem (CID 92619497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).