4-[(3S)-1-[3-(1H-benzimidazol-2-yl)propanoyl]piperidin-3-yl]-2-methyl-1H-pyrimidin-6-one

C20H23N5O2 — CID 136722535

IUPAC4-[(3S)-1-[3-(1H-benzimidazol-2-yl)propanoyl]piperidin-3-yl]-2-methyl-1H-pyrimidin-6-one
SMILESCc1nc([C@H]2CCCN(C(=O)CCc3nc4ccccc4[nH]3)C2)cc(=O)[nH]1
InChIInChI=1S/C20H23N5O2/c1-13-21-17(11-19(26)22-13)14-5-4-10-25(12-14)20(27)9-8-18-23-15-6-2-3-7-16(15)24-18/h2-3,6-7,11,14H,4-5,8-10,12H2,1H3,(H,23,24)(H,21,22,26)/t14-/m0/s1
InChIKeyUWDZAVHRKISYIB-AWEZNQCLSA-N
MW365.44 g/mol
LogP2.29
Rot. Bonds4

About 4-[(3S)-1-[3-(1H-benzimidazol-2-yl)propanoyl]piperidin-3-yl]-2-methyl-1H-pyrimidin-6-one

4-[(3S)-1-[3-(1H-benzimidazol-2-yl)propanoyl]piperidin-3-yl]-2-methyl-1H-pyrimidin-6-one (PubChem CID 136722535) has the molecular formula C20H23N5O2 and a molecular weight of 365.44 g/mol. Its IUPAC name is 4-[(3S)-1-[3-(1H-benzimidazol-2-yl)propanoyl]piperidin-3-yl]-2-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(3S)-1-[3-(1H-benzimidazol-2-yl)propanoyl]piperidin-3-yl]-2-methyl-1H-pyrimidin-6-one
PubChem CID136722535
Molecular FormulaC20H23N5O2
Molecular Weight365.44 g/mol
Exact Mass365.19
IUPAC Name4-[(3S)-1-[3-(1H-benzimidazol-2-yl)propanoyl]piperidin-3-yl]-2-methyl-1H-pyrimidin-6-one
SMILESCc1nc([C@H]2CCCN(C(=O)CCc3nc4ccccc4[nH]3)C2)cc(=O)[nH]1
InChIInChI=1S/C20H23N5O2/c1-13-21-17(11-19(26)22-13)14-5-4-10-25(12-14)20(27)9-8-18-23-15-6-2-3-7-16(15)24-18/h2-3,6-7,11,14H,4-5,8-10,12H2,1H3,(H,23,24)(H,21,22,26)/t14-/m0/s1
InChIKeyUWDZAVHRKISYIB-AWEZNQCLSA-N
XLogP2.29
TPSA94.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[(3S)-1-[3-(1H-benzimidazol-2-yl)propanoyl]piperidin-3-yl]-2-methyl-1H-pyrimidin-6-one with MolForge

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Related Compounds

3-(1H-benzimidazol-2-yl)-1-[(3S)-3-(6-methyl-4-phenyl-2-pyridinyl)piperidin-1-yl]propan-1-one
CID 125017351
3-(1H-benzimidazol-2-yl)-1-[(3S)-3-[4-(4-fluorophenyl)-6-methyl-2-pyridinyl]piperidin-1-yl]propan-1-one
CID 124951832
3-[(3R)-1-[3-(1H-benzimidazol-2-yl)propanoyl]piperidin-3-yl]-4-ethyl-1H-1,2,4-triazol-5-one
CID 95218585
ethyl (3R)-1-[3-(1H-benzimidazol-2-yl)propanoyl]piperidine-3-carboxylate
CID 40512693
3-(1H-benzimidazol-2-yl)-1-pyrrolidin-1-ylpropan-1-one
CID 18145539
2-methyl-4-[1-(4-phenylmethoxybutanoyl)piperidin-3-yl]-1H-pyrimidin-6-one
CID 136665025
2-methyl-4-[(3R)-1-[3-(2-methyl-6-oxo-1-pyridinyl)propanoyl]piperidin-3-yl]-1H-pyrimidin-6-one
CID 136804333
2-methyl-4-[(3R)-1-[2-(2-methylphenyl)sulfanylacetyl]piperidin-3-yl]-1H-pyrimidin-6-one
CID 135858414
3-(1H-benzimidazol-2-yl)-1-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]propan-1-one
CID 42653271
3-(1H-benzimidazol-2-yl)-1-[(3S)-3-[(6-chloro-1H-benzimidazol-2-yl)methyl]piperidin-1-yl]propan-1-one
CID 92627755
3-(1H-benzimidazol-2-yl)-1-(3-methylpiperazin-1-yl)propan-1-one
CID 154735503
2-methyl-4-[1-[3-(3,4,5-trimethylpyrazol-1-yl)propanoyl]piperidin-3-yl]-1H-pyrimidin-6-one
CID 136664782

Frequently Asked Questions

What is the IUPAC name of 4-[(3S)-1-[3-(1H-benzimidazol-2-yl)propanoyl]piperidin-3-yl]-2-methyl-1H-pyrimidin-6-one?
The IUPAC name of 4-[(3S)-1-[3-(1H-benzimidazol-2-yl)propanoyl]piperidin-3-yl]-2-methyl-1H-pyrimidin-6-one (CID 136722535) is 4-[(3S)-1-[3-(1H-benzimidazol-2-yl)propanoyl]piperidin-3-yl]-2-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(3S)-1-[3-(1H-benzimidazol-2-yl)propanoyl]piperidin-3-yl]-2-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(3S)-1-[3-(1H-benzimidazol-2-yl)propanoyl]piperidin-3-yl]-2-methyl-1H-pyrimidin-6-one is Cc1nc([C@H]2CCCN(C(=O)CCc3nc4ccccc4[nH]3)C2)cc(=O)[nH]1.
What is the InChIKey of 4-[(3S)-1-[3-(1H-benzimidazol-2-yl)propanoyl]piperidin-3-yl]-2-methyl-1H-pyrimidin-6-one?
The InChIKey is UWDZAVHRKISYIB-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H23N5O2/c1-13-21-17(11-19(26)22-13)14-5-4-10-25(12-14)20(27)9-8-18-23-15-6-2-3-7-16(15)24-18/h2-3,6-7,11,14H,4-5,8-10,12H2,1H3,(H,23,24)(H,21,22,26)/t14-/m0/s1.
What are the key properties of 4-[(3S)-1-[3-(1H-benzimidazol-2-yl)propanoyl]piperidin-3-yl]-2-methyl-1H-pyrimidin-6-one?
4-[(3S)-1-[3-(1H-benzimidazol-2-yl)propanoyl]piperidin-3-yl]-2-methyl-1H-pyrimidin-6-one has a molecular weight of 365.44 g/mol, XLogP of 2.29, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3S)-1-[3-(1H-benzimidazol-2-yl)propanoyl]piperidin-3-yl]-2-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136722535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).