(3R)-3-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-1-(oxan-4-yl)piperidin-2-one

C19H29N5O3 — CID 97343887

IUPAC(3R)-3-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-1-(oxan-4-yl)piperidin-2-one
SMILESCOc1ccnc(N2CCN([C@@H]3CCCN(C4CCOCC4)C3=O)CC2)n1
InChIInChI=1S/C19H29N5O3/c1-26-17-4-7-20-19(21-17)23-11-9-22(10-12-23)16-3-2-8-24(18(16)25)15-5-13-27-14-6-15/h4,7,15-16H,2-3,5-6,8-14H2,1H3/t16-/m1/s1
InChIKeyCHIQJOCASWQKPX-MRXNPFEDSA-N
MW375.47 g/mol
LogP0.78
Rot. Bonds4

About (3R)-3-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-1-(oxan-4-yl)piperidin-2-one

(3R)-3-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-1-(oxan-4-yl)piperidin-2-one (PubChem CID 97343887) has the molecular formula C19H29N5O3 and a molecular weight of 375.47 g/mol. Its IUPAC name is (3R)-3-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-1-(oxan-4-yl)piperidin-2-one.

Molecular Properties

Compound Name(3R)-3-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-1-(oxan-4-yl)piperidin-2-one
PubChem CID97343887
Molecular FormulaC19H29N5O3
Molecular Weight375.47 g/mol
Exact Mass375.23
IUPAC Name(3R)-3-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-1-(oxan-4-yl)piperidin-2-one
SMILESCOc1ccnc(N2CCN([C@@H]3CCCN(C4CCOCC4)C3=O)CC2)n1
InChIInChI=1S/C19H29N5O3/c1-26-17-4-7-20-19(21-17)23-11-9-22(10-12-23)16-3-2-8-24(18(16)25)15-5-13-27-14-6-15/h4,7,15-16H,2-3,5-6,8-14H2,1H3/t16-/m1/s1
InChIKeyCHIQJOCASWQKPX-MRXNPFEDSA-N
XLogP0.78
TPSA71.03 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 50.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (3R)-3-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-1-(oxan-4-yl)piperidin-2-one with MolForge

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Related Compounds

[4-(4-Methoxypyrimidin-2-yl)piperazin-1-yl]-morpholin-4-ylmethanone
CID 26034925
2-[4-(4-Methoxypyrimidin-2-yl)piperazin-1-yl]-1-morpholin-4-ylethanone
CID 26436780
2-[4-(4-Methoxypyrimidin-2-yl)piperazin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone
CID 47073311
2-[4-(4-Methoxypyrimidin-2-yl)piperazin-1-yl]-1-(2-methylmorpholin-4-yl)ethanone
CID 47528270
1-(2-Ethylmorpholin-4-yl)-2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]ethanone
CID 48558781
1-[2-[4-(4-Methoxypyrimidin-2-yl)piperazin-1-yl]-2-oxoethyl]pyrrolidin-2-one
CID 53511842
1-[4-(4-Methoxypyrimidin-2-yl)piperazin-1-yl]-2-morpholin-4-ylethanone
CID 56807292
2-[4-[(4-Methoxypyrimidin-2-yl)amino]piperidin-1-yl]-1-pyrrolidin-1-ylethanone
CID 56821485
3-((4-Methoxypyrimidin-2-yl)amino)piperidin-2-one
CID 47476528
[4-(4-Ethoxypyrimidin-2-yl)piperazin-1-yl]-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methanone
CID 86905423
[(2S,4R)-4-fluoro-1-(4-methoxypyrimidin-2-yl)pyrrolidin-2-yl]-morpholin-4-ylmethanone
CID 120929165
[(2R,4S)-4-fluoropyrrolidin-2-yl]-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]methanone
CID 122084636

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-1-(oxan-4-yl)piperidin-2-one?
The IUPAC name of (3R)-3-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-1-(oxan-4-yl)piperidin-2-one (CID 97343887) is (3R)-3-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-1-(oxan-4-yl)piperidin-2-one.
What is the SMILES notation for (3R)-3-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-1-(oxan-4-yl)piperidin-2-one?
The canonical SMILES for (3R)-3-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-1-(oxan-4-yl)piperidin-2-one is COc1ccnc(N2CCN([C@@H]3CCCN(C4CCOCC4)C3=O)CC2)n1.
What is the InChIKey of (3R)-3-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-1-(oxan-4-yl)piperidin-2-one?
The InChIKey is CHIQJOCASWQKPX-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H29N5O3/c1-26-17-4-7-20-19(21-17)23-11-9-22(10-12-23)16-3-2-8-24(18(16)25)15-5-13-27-14-6-15/h4,7,15-16H,2-3,5-6,8-14H2,1H3/t16-/m1/s1.
What are the key properties of (3R)-3-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-1-(oxan-4-yl)piperidin-2-one?
(3R)-3-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-1-(oxan-4-yl)piperidin-2-one has a molecular weight of 375.47 g/mol, XLogP of 0.78, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-1-(oxan-4-yl)piperidin-2-one is sourced from PubChem (CID 97343887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).