4-[1-[(2R)-4-acetylpiperazine-2-carbonyl]piperidin-4-yl]-2-methyl-1H-pyrimidin-6-one

C17H25N5O3 — CID 136715636

IUPAC4-[1-[(2R)-4-acetylpiperazine-2-carbonyl]piperidin-4-yl]-2-methyl-1H-pyrimidin-6-one
SMILESCC(=O)N1CCN[C@@H](C(=O)N2CCC(c3cc(=O)[nH]c(C)n3)CC2)C1
InChIInChI=1S/C17H25N5O3/c1-11-19-14(9-16(24)20-11)13-3-6-21(7-4-13)17(25)15-10-22(12(2)23)8-5-18-15/h9,13,15,18H,3-8,10H2,1-2H3,(H,19,20,24)/t15-/m1/s1
InChIKeyUFJUPQMNJCRBIA-OAHLLOKOSA-N
MW347.42 g/mol
LogP-0.40
Rot. Bonds2

About 4-[1-[(2R)-4-acetylpiperazine-2-carbonyl]piperidin-4-yl]-2-methyl-1H-pyrimidin-6-one

4-[1-[(2R)-4-acetylpiperazine-2-carbonyl]piperidin-4-yl]-2-methyl-1H-pyrimidin-6-one (PubChem CID 136715636) has the molecular formula C17H25N5O3 and a molecular weight of 347.42 g/mol. Its IUPAC name is 4-[1-[(2R)-4-acetylpiperazine-2-carbonyl]piperidin-4-yl]-2-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[1-[(2R)-4-acetylpiperazine-2-carbonyl]piperidin-4-yl]-2-methyl-1H-pyrimidin-6-one
PubChem CID136715636
Molecular FormulaC17H25N5O3
Molecular Weight347.42 g/mol
Exact Mass347.20
IUPAC Name4-[1-[(2R)-4-acetylpiperazine-2-carbonyl]piperidin-4-yl]-2-methyl-1H-pyrimidin-6-one
SMILESCC(=O)N1CCN[C@@H](C(=O)N2CCC(c3cc(=O)[nH]c(C)n3)CC2)C1
InChIInChI=1S/C17H25N5O3/c1-11-19-14(9-16(24)20-11)13-3-6-21(7-4-13)17(25)15-10-22(12(2)23)8-5-18-15/h9,13,15,18H,3-8,10H2,1-2H3,(H,19,20,24)/t15-/m1/s1
InChIKeyUFJUPQMNJCRBIA-OAHLLOKOSA-N
XLogP-0.40
TPSA98.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 5-0.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[1-[(2R)-4-acetylpiperazine-2-carbonyl]piperidin-4-yl]-2-methyl-1H-pyrimidin-6-one?
The IUPAC name of 4-[1-[(2R)-4-acetylpiperazine-2-carbonyl]piperidin-4-yl]-2-methyl-1H-pyrimidin-6-one (CID 136715636) is 4-[1-[(2R)-4-acetylpiperazine-2-carbonyl]piperidin-4-yl]-2-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[1-[(2R)-4-acetylpiperazine-2-carbonyl]piperidin-4-yl]-2-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-[1-[(2R)-4-acetylpiperazine-2-carbonyl]piperidin-4-yl]-2-methyl-1H-pyrimidin-6-one is CC(=O)N1CCN[C@@H](C(=O)N2CCC(c3cc(=O)[nH]c(C)n3)CC2)C1.
What is the InChIKey of 4-[1-[(2R)-4-acetylpiperazine-2-carbonyl]piperidin-4-yl]-2-methyl-1H-pyrimidin-6-one?
The InChIKey is UFJUPQMNJCRBIA-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H25N5O3/c1-11-19-14(9-16(24)20-11)13-3-6-21(7-4-13)17(25)15-10-22(12(2)23)8-5-18-15/h9,13,15,18H,3-8,10H2,1-2H3,(H,19,20,24)/t15-/m1/s1.
What are the key properties of 4-[1-[(2R)-4-acetylpiperazine-2-carbonyl]piperidin-4-yl]-2-methyl-1H-pyrimidin-6-one?
4-[1-[(2R)-4-acetylpiperazine-2-carbonyl]piperidin-4-yl]-2-methyl-1H-pyrimidin-6-one has a molecular weight of 347.42 g/mol, XLogP of -0.40, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[(2R)-4-acetylpiperazine-2-carbonyl]piperidin-4-yl]-2-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136715636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).