2-morpholin-2-yl-1-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]ethanone

C19H29N5O2 — CID 70787883

IUPAC2-morpholin-2-yl-1-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]ethanone
SMILESO=C(CC1CNCCO1)N1CCC(c2cc(N3CCCC3)ncn2)CC1
InChIInChI=1S/C19H29N5O2/c25-19(11-16-13-20-5-10-26-16)24-8-3-15(4-9-24)17-12-18(22-14-21-17)23-6-1-2-7-23/h12,14-16,20H,1-11,13H2
InChIKeyPBFJORMFSZYBFH-UHFFFAOYSA-N
MW359.47 g/mol
LogP1.16
Rot. Bonds4

About 2-morpholin-2-yl-1-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]ethanone

2-morpholin-2-yl-1-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]ethanone (PubChem CID 70787883) has the molecular formula C19H29N5O2 and a molecular weight of 359.47 g/mol. Its IUPAC name is 2-morpholin-2-yl-1-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-morpholin-2-yl-1-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]ethanone
PubChem CID70787883
Molecular FormulaC19H29N5O2
Molecular Weight359.47 g/mol
Exact Mass359.23
IUPAC Name2-morpholin-2-yl-1-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]ethanone
SMILESO=C(CC1CNCCO1)N1CCC(c2cc(N3CCCC3)ncn2)CC1
InChIInChI=1S/C19H29N5O2/c25-19(11-16-13-20-5-10-26-16)24-8-3-15(4-9-24)17-12-18(22-14-21-17)23-6-1-2-7-23/h12,14-16,20H,1-11,13H2
InChIKeyPBFJORMFSZYBFH-UHFFFAOYSA-N
XLogP1.16
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-morpholin-2-yl-1-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]ethanone?
The IUPAC name of 2-morpholin-2-yl-1-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]ethanone (CID 70787883) is 2-morpholin-2-yl-1-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-morpholin-2-yl-1-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-morpholin-2-yl-1-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]ethanone is O=C(CC1CNCCO1)N1CCC(c2cc(N3CCCC3)ncn2)CC1.
What is the InChIKey of 2-morpholin-2-yl-1-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]ethanone?
The InChIKey is PBFJORMFSZYBFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N5O2/c25-19(11-16-13-20-5-10-26-16)24-8-3-15(4-9-24)17-12-18(22-14-21-17)23-6-1-2-7-23/h12,14-16,20H,1-11,13H2.
What are the key properties of 2-morpholin-2-yl-1-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]ethanone?
2-morpholin-2-yl-1-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]ethanone has a molecular weight of 359.47 g/mol, XLogP of 1.16, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-2-yl-1-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]ethanone is sourced from PubChem (CID 70787883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).