1-[4-(2,5-dimethyl-1,3-oxazol-4-yl)phenyl]-3-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]piperidin-2-one

C27H33N5O2 — CID 11684011

IUPAC1-[4-(2,5-dimethyl-1,3-oxazol-4-yl)phenyl]-3-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]piperidin-2-one
SMILESCc1nc(-c2ccc(N3CCCC(Cc4cccnc4N4CCN(C)CC4)C3=O)cc2)c(C)o1
InChIInChI=1S/C27H33N5O2/c1-19-25(29-20(2)34-19)21-8-10-24(11-9-21)32-13-5-7-23(27(32)33)18-22-6-4-12-28-26(22)31-16-14-30(3)15-17-31/h4,6,8-12,23H,5,7,13-18H2,1-3H3
InChIKeyBXHQJLMTAFBZPD-UHFFFAOYSA-N
MW459.59 g/mol
LogP4.09
Rot. Bonds5

About 1-[4-(2,5-dimethyl-1,3-oxazol-4-yl)phenyl]-3-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]piperidin-2-one

1-[4-(2,5-dimethyl-1,3-oxazol-4-yl)phenyl]-3-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]piperidin-2-one (PubChem CID 11684011) has the molecular formula C27H33N5O2 and a molecular weight of 459.59 g/mol. Its IUPAC name is 1-[4-(2,5-dimethyl-1,3-oxazol-4-yl)phenyl]-3-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]piperidin-2-one.

Molecular Properties

Compound Name1-[4-(2,5-dimethyl-1,3-oxazol-4-yl)phenyl]-3-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]piperidin-2-one
PubChem CID11684011
Molecular FormulaC27H33N5O2
Molecular Weight459.59 g/mol
Exact Mass459.26
IUPAC Name1-[4-(2,5-dimethyl-1,3-oxazol-4-yl)phenyl]-3-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]piperidin-2-one
SMILESCc1nc(-c2ccc(N3CCCC(Cc4cccnc4N4CCN(C)CC4)C3=O)cc2)c(C)o1
InChIInChI=1S/C27H33N5O2/c1-19-25(29-20(2)34-19)21-8-10-24(11-9-21)32-13-5-7-23(27(32)33)18-22-6-4-12-28-26(22)31-16-14-30(3)15-17-31/h4,6,8-12,23H,5,7,13-18H2,1-3H3
InChIKeyBXHQJLMTAFBZPD-UHFFFAOYSA-N
XLogP4.09
TPSA65.71 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.59
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[4-(2,5-dimethyl-1,3-oxazol-4-yl)phenyl]-3-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]piperidin-2-one with MolForge

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Related Compounds

1-[4-(2-hydroxypropan-2-yl)phenyl]-3-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]piperidin-2-one
CID 11611550
3-[[3-(4-methylpiperazin-1-yl)-2-pyridinyl]methyl]-1-[4-(1,3-oxazol-4-yl)phenyl]piperidin-2-one
CID 11952869
(3S)-1-[4-(2-tert-butyl-1,3-oxazol-4-yl)phenyl]-3-[[3-(4-methylpiperazin-1-yl)-2-pyridinyl]methyl]piperidin-2-one
CID 11952774
3-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]oxy]-1-(4-propan-2-yloxyphenyl)pyrrolidin-2-one
CID 11441246
1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-3-[2-[2-(4-methylpiperazin-1-yl)-3-pyridinyl]ethyl]imidazol-2-one
CID 11597470
(3S)-3-[[2-(4-(111C)methylpiperazin-1-yl)phenyl]methyl]-1-phenylpyrrolidin-2-one;yttrium
CID 59782591
1-[4-(1-methoxycyclobutyl)phenyl]-3-[[3-(4-methylpiperazin-1-yl)-2-pyridinyl]methyl]pyrrolidin-2-one
CID 11953047
3-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-1-[4-(trifluoromethyl)phenyl]pyrrolidin-2-one;hydrochloride
CID 22343561
tert-butyl 4-[2-[[1-[4-(oxan-4-yl)phenyl]-2-oxopiperidin-3-yl]methyl]-3-pyridinyl]piperazine-1-carboxylate
CID 11953092
(3S)-1-[6-(3-hydroxypentan-3-yl)-3-pyridinyl]-3-[[2-(4-(111C)methylpiperazin-1-yl)phenyl]methyl]pyrrolidin-2-one
CID 59782576
(3R)-1-[6-[(2S)-2,3-dihydroxypentan-3-yl]-3-pyridinyl]-3-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]pyrrolidin-2-one
CID 71090874
2-methyl-N-[[2-(4-methyl-1,4-diazepan-1-yl)-3-pyridinyl]methyl]propan-1-amine
CID 62278791

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,5-dimethyl-1,3-oxazol-4-yl)phenyl]-3-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]piperidin-2-one?
The IUPAC name of 1-[4-(2,5-dimethyl-1,3-oxazol-4-yl)phenyl]-3-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]piperidin-2-one (CID 11684011) is 1-[4-(2,5-dimethyl-1,3-oxazol-4-yl)phenyl]-3-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]piperidin-2-one.
What is the SMILES notation for 1-[4-(2,5-dimethyl-1,3-oxazol-4-yl)phenyl]-3-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]piperidin-2-one?
The canonical SMILES for 1-[4-(2,5-dimethyl-1,3-oxazol-4-yl)phenyl]-3-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]piperidin-2-one is Cc1nc(-c2ccc(N3CCCC(Cc4cccnc4N4CCN(C)CC4)C3=O)cc2)c(C)o1.
What is the InChIKey of 1-[4-(2,5-dimethyl-1,3-oxazol-4-yl)phenyl]-3-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]piperidin-2-one?
The InChIKey is BXHQJLMTAFBZPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N5O2/c1-19-25(29-20(2)34-19)21-8-10-24(11-9-21)32-13-5-7-23(27(32)33)18-22-6-4-12-28-26(22)31-16-14-30(3)15-17-31/h4,6,8-12,23H,5,7,13-18H2,1-3H3.
What are the key properties of 1-[4-(2,5-dimethyl-1,3-oxazol-4-yl)phenyl]-3-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]piperidin-2-one?
1-[4-(2,5-dimethyl-1,3-oxazol-4-yl)phenyl]-3-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]piperidin-2-one has a molecular weight of 459.59 g/mol, XLogP of 4.09, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,5-dimethyl-1,3-oxazol-4-yl)phenyl]-3-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]piperidin-2-one is sourced from PubChem (CID 11684011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).