7-[[4-[1-(2-phenylacetyl)piperidine-3-carbonyl]piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one

C25H29N5O3S — CID 55607717

IUPAC7-[[4-[1-(2-phenylacetyl)piperidine-3-carbonyl]piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESO=C(Cc1ccccc1)N1CCCC(C(=O)N2CCN(Cc3cc(=O)n4ccsc4n3)CC2)C1
InChIInChI=1S/C25H29N5O3S/c31-22(15-19-5-2-1-3-6-19)29-8-4-7-20(17-29)24(33)28-11-9-27(10-12-28)18-21-16-23(32)30-13-14-34-25(30)26-21/h1-3,5-6,13-14,16,20H,4,7-12,15,17-18H2
InChIKeyLYFMQPPFVFHILX-UHFFFAOYSA-N
MW479.61 g/mol
LogP1.88
Rot. Bonds5

About 7-[[4-[1-(2-phenylacetyl)piperidine-3-carbonyl]piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one

7-[[4-[1-(2-phenylacetyl)piperidine-3-carbonyl]piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 55607717) has the molecular formula C25H29N5O3S and a molecular weight of 479.61 g/mol. Its IUPAC name is 7-[[4-[1-(2-phenylacetyl)piperidine-3-carbonyl]piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name7-[[4-[1-(2-phenylacetyl)piperidine-3-carbonyl]piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID55607717
Molecular FormulaC25H29N5O3S
Molecular Weight479.61 g/mol
Exact Mass479.20
IUPAC Name7-[[4-[1-(2-phenylacetyl)piperidine-3-carbonyl]piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESO=C(Cc1ccccc1)N1CCCC(C(=O)N2CCN(Cc3cc(=O)n4ccsc4n3)CC2)C1
InChIInChI=1S/C25H29N5O3S/c31-22(15-19-5-2-1-3-6-19)29-8-4-7-20(17-29)24(33)28-11-9-27(10-12-28)18-21-16-23(32)30-13-14-34-25(30)26-21/h1-3,5-6,13-14,16,20H,4,7-12,15,17-18H2
InChIKeyLYFMQPPFVFHILX-UHFFFAOYSA-N
XLogP1.88
TPSA78.23 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.61
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

7-[[4-(1-butanoylpiperidine-3-carbonyl)piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 60527759
N-[(2S)-3-methyl-1-oxo-1-[4-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperazin-1-yl]butan-2-yl]-2-phenylacetamide
CID 55935033
2-phenyl-1-[3-[4-(quinolin-8-ylmethyl)piperazine-1-carbonyl]piperidin-1-yl]ethanone
CID 55616121
methyl (3S)-1-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidine-3-carboxylate
CID 79046296
2-[4-[1-(2-phenylacetyl)piperidine-3-carbonyl]piperazin-1-yl]-N-propan-2-ylacetamide
CID 55606843
7-[[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 79410044
1-[3-(4-benzoyl-1,4-diazepane-1-carbonyl)piperidin-1-yl]-2-phenylethanone
CID 78861461
7-[[4-(3-hydroxynaphthalene-2-carbonyl)piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 46666805
7-[[4-[(3-chlorophenyl)methyl]piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 6464868
1-[3-(1,4-diazepane-1-carbonyl)piperidin-1-yl]-2-phenylethanone
CID 119418627
benzyl N-[(2S)-3-methyl-1-oxo-1-[4-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperazin-1-yl]butan-2-yl]carbamate
CID 55935031
7-[[4-(1,3-benzoxazol-2-yl)piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 42939448

Frequently Asked Questions

What is the IUPAC name of 7-[[4-[1-(2-phenylacetyl)piperidine-3-carbonyl]piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 7-[[4-[1-(2-phenylacetyl)piperidine-3-carbonyl]piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 55607717) is 7-[[4-[1-(2-phenylacetyl)piperidine-3-carbonyl]piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 7-[[4-[1-(2-phenylacetyl)piperidine-3-carbonyl]piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 7-[[4-[1-(2-phenylacetyl)piperidine-3-carbonyl]piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one is O=C(Cc1ccccc1)N1CCCC(C(=O)N2CCN(Cc3cc(=O)n4ccsc4n3)CC2)C1.
What is the InChIKey of 7-[[4-[1-(2-phenylacetyl)piperidine-3-carbonyl]piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is LYFMQPPFVFHILX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N5O3S/c31-22(15-19-5-2-1-3-6-19)29-8-4-7-20(17-29)24(33)28-11-9-27(10-12-28)18-21-16-23(32)30-13-14-34-25(30)26-21/h1-3,5-6,13-14,16,20H,4,7-12,15,17-18H2.
What are the key properties of 7-[[4-[1-(2-phenylacetyl)piperidine-3-carbonyl]piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
7-[[4-[1-(2-phenylacetyl)piperidine-3-carbonyl]piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 479.61 g/mol, XLogP of 1.88, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[4-[1-(2-phenylacetyl)piperidine-3-carbonyl]piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 55607717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).