1-[(3R)-3-[4-(4-methoxypyrimidin-2-yl)piperazine-1-carbonyl]piperidin-1-yl]ethanone

C17H25N5O3 — CID 95579755

IUPAC1-[(3R)-3-[4-(4-methoxypyrimidin-2-yl)piperazine-1-carbonyl]piperidin-1-yl]ethanone
SMILESCOc1ccnc(N2CCN(C(=O)[C@@H]3CCCN(C(C)=O)C3)CC2)n1
InChIInChI=1S/C17H25N5O3/c1-13(23)22-7-3-4-14(12-22)16(24)20-8-10-21(11-9-20)17-18-6-5-15(19-17)25-2/h5-6,14H,3-4,7-12H2,1-2H3/t14-/m1/s1
InChIKeyVRDCPRFQGDMRNK-CQSZACIVSA-N
MW347.42 g/mol
LogP0.39
Rot. Bonds3

About 1-[(3R)-3-[4-(4-methoxypyrimidin-2-yl)piperazine-1-carbonyl]piperidin-1-yl]ethanone

1-[(3R)-3-[4-(4-methoxypyrimidin-2-yl)piperazine-1-carbonyl]piperidin-1-yl]ethanone (PubChem CID 95579755) has the molecular formula C17H25N5O3 and a molecular weight of 347.42 g/mol. Its IUPAC name is 1-[(3R)-3-[4-(4-methoxypyrimidin-2-yl)piperazine-1-carbonyl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[(3R)-3-[4-(4-methoxypyrimidin-2-yl)piperazine-1-carbonyl]piperidin-1-yl]ethanone
PubChem CID95579755
Molecular FormulaC17H25N5O3
Molecular Weight347.42 g/mol
Exact Mass347.20
IUPAC Name1-[(3R)-3-[4-(4-methoxypyrimidin-2-yl)piperazine-1-carbonyl]piperidin-1-yl]ethanone
SMILESCOc1ccnc(N2CCN(C(=O)[C@@H]3CCCN(C(C)=O)C3)CC2)n1
InChIInChI=1S/C17H25N5O3/c1-13(23)22-7-3-4-14(12-22)16(24)20-8-10-21(11-9-20)17-18-6-5-15(19-17)25-2/h5-6,14H,3-4,7-12H2,1-2H3/t14-/m1/s1
InChIKeyVRDCPRFQGDMRNK-CQSZACIVSA-N
XLogP0.39
TPSA78.87 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 50.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[(3R)-3-[4-(4-methoxypyrimidin-2-yl)piperazine-1-carbonyl]piperidin-1-yl]ethanone with MolForge

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Related Compounds

cyclohex-3-en-1-yl-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]methanone
CID 56814584
[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-(2-methylcyclopropyl)methanone
CID 47340436
1-[4-(1-acetylpiperidine-3-carbonyl)piperazin-1-yl]ethanone
CID 110686076
1-[4-(4-methoxypyrimidin-2-yl)-1,4-diazepan-1-yl]-2,2-dimethylpropan-1-one
CID 133282780
1-[3-(4-phenylpiperazine-1-carbonyl)piperidin-1-yl]ethanone
CID 110686098
2,5-dihydro-1H-pyrrol-2-yl-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]methanone;dihydrochloride
CID 154910700
(2S)-1-[1-(4-methoxypyrimidin-2-yl)piperidine-4-carbonyl]pyrrolidine-2-carboxylic acid
CID 125147498
2-[1-(4-methoxypyrimidin-2-yl)piperidin-3-yl]acetic acid
CID 55104995
(2S)-1-(4-methoxypyrimidin-2-yl)pyrrolidine-2-carboxylic acid
CID 93274420
N-tert-butyl-1-(4-methoxypyrimidin-2-yl)piperidine-3-carboxamide
CID 166600760
[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-[(1S,2R)-2-phenylcyclopropyl]methanone
CID 95145272
[4-(4-methoxyphenyl)piperazin-1-yl]-(1-pyrimidin-2-ylpiperidin-3-yl)methanone
CID 3223330

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-3-[4-(4-methoxypyrimidin-2-yl)piperazine-1-carbonyl]piperidin-1-yl]ethanone?
The IUPAC name of 1-[(3R)-3-[4-(4-methoxypyrimidin-2-yl)piperazine-1-carbonyl]piperidin-1-yl]ethanone (CID 95579755) is 1-[(3R)-3-[4-(4-methoxypyrimidin-2-yl)piperazine-1-carbonyl]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[(3R)-3-[4-(4-methoxypyrimidin-2-yl)piperazine-1-carbonyl]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[(3R)-3-[4-(4-methoxypyrimidin-2-yl)piperazine-1-carbonyl]piperidin-1-yl]ethanone is COc1ccnc(N2CCN(C(=O)[C@@H]3CCCN(C(C)=O)C3)CC2)n1.
What is the InChIKey of 1-[(3R)-3-[4-(4-methoxypyrimidin-2-yl)piperazine-1-carbonyl]piperidin-1-yl]ethanone?
The InChIKey is VRDCPRFQGDMRNK-CQSZACIVSA-N. The full InChI is InChI=1S/C17H25N5O3/c1-13(23)22-7-3-4-14(12-22)16(24)20-8-10-21(11-9-20)17-18-6-5-15(19-17)25-2/h5-6,14H,3-4,7-12H2,1-2H3/t14-/m1/s1.
What are the key properties of 1-[(3R)-3-[4-(4-methoxypyrimidin-2-yl)piperazine-1-carbonyl]piperidin-1-yl]ethanone?
1-[(3R)-3-[4-(4-methoxypyrimidin-2-yl)piperazine-1-carbonyl]piperidin-1-yl]ethanone has a molecular weight of 347.42 g/mol, XLogP of 0.39, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-3-[4-(4-methoxypyrimidin-2-yl)piperazine-1-carbonyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 95579755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).