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

C25H29N5O2 — CID 11952869

IUPAC3-[[3-(4-methylpiperazin-1-yl)-2-pyridinyl]methyl]-1-[4-(1,3-oxazol-4-yl)phenyl]piperidin-2-one
SMILESCN1CCN(c2cccnc2CC2CCCN(c3ccc(-c4cocn4)cc3)C2=O)CC1
InChIInChI=1S/C25H29N5O2/c1-28-12-14-29(15-13-28)24-5-2-10-26-22(24)16-20-4-3-11-30(25(20)31)21-8-6-19(7-9-21)23-17-32-18-27-23/h2,5-10,17-18,20H,3-4,11-16H2,1H3
InChIKeyMFJGBSXMZXNGKP-UHFFFAOYSA-N
MW431.54 g/mol
LogP3.47
Rot. Bonds5

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

3-[[3-(4-methylpiperazin-1-yl)-2-pyridinyl]methyl]-1-[4-(1,3-oxazol-4-yl)phenyl]piperidin-2-one (PubChem CID 11952869) has the molecular formula C25H29N5O2 and a molecular weight of 431.54 g/mol. Its IUPAC name is 3-[[3-(4-methylpiperazin-1-yl)-2-pyridinyl]methyl]-1-[4-(1,3-oxazol-4-yl)phenyl]piperidin-2-one.

Molecular Properties

Compound Name3-[[3-(4-methylpiperazin-1-yl)-2-pyridinyl]methyl]-1-[4-(1,3-oxazol-4-yl)phenyl]piperidin-2-one
PubChem CID11952869
Molecular FormulaC25H29N5O2
Molecular Weight431.54 g/mol
Exact Mass431.23
IUPAC Name3-[[3-(4-methylpiperazin-1-yl)-2-pyridinyl]methyl]-1-[4-(1,3-oxazol-4-yl)phenyl]piperidin-2-one
SMILESCN1CCN(c2cccnc2CC2CCCN(c3ccc(-c4cocn4)cc3)C2=O)CC1
InChIInChI=1S/C25H29N5O2/c1-28-12-14-29(15-13-28)24-5-2-10-26-22(24)16-20-4-3-11-30(25(20)31)21-8-6-19(7-9-21)23-17-32-18-27-23/h2,5-10,17-18,20H,3-4,11-16H2,1H3
InChIKeyMFJGBSXMZXNGKP-UHFFFAOYSA-N
XLogP3.47
TPSA65.71 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.54
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

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Related Compounds

(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
1-[4-(1-methoxycyclobutyl)phenyl]-3-[[3-(4-methylpiperazin-1-yl)-2-pyridinyl]methyl]pyrrolidin-2-one
CID 11953047
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
tert-butyl 4-[2-[[1-[4-(oxan-4-yl)phenyl]-2-oxopiperidin-3-yl]methyl]-3-pyridinyl]piperazine-1-carboxylate
CID 11953092
1-[4-(2-hydroxypropan-2-yl)phenyl]-3-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]piperidin-2-one
CID 11611550
3-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-1-[4-(trifluoromethyl)phenyl]pyrrolidin-2-one;hydrochloride
CID 22343561
(3S)-3-[[2-(4-(111C)methylpiperazin-1-yl)phenyl]methyl]-1-phenylpyrrolidin-2-one;yttrium
CID 59782591
4-[3-(4-methylpiperazin-1-yl)phenyl]-1,3-oxazole
CID 176859206
(3S)-1-[6-(3-hydroxypentan-3-yl)-3-pyridinyl]-3-[[2-(4-(111C)methylpiperazin-1-yl)phenyl]methyl]pyrrolidin-2-one
CID 59782576
2-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidine
CID 70794404
3-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]oxy]-1-(4-propan-2-yloxyphenyl)pyrrolidin-2-one
CID 11441246
(3R)-1-[6-[(2S)-2,3-dihydroxypentan-3-yl]-3-pyridinyl]-3-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]pyrrolidin-2-one
CID 71090874

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(4-methylpiperazin-1-yl)-2-pyridinyl]methyl]-1-[4-(1,3-oxazol-4-yl)phenyl]piperidin-2-one?
The IUPAC name of 3-[[3-(4-methylpiperazin-1-yl)-2-pyridinyl]methyl]-1-[4-(1,3-oxazol-4-yl)phenyl]piperidin-2-one (CID 11952869) is 3-[[3-(4-methylpiperazin-1-yl)-2-pyridinyl]methyl]-1-[4-(1,3-oxazol-4-yl)phenyl]piperidin-2-one.
What is the SMILES notation for 3-[[3-(4-methylpiperazin-1-yl)-2-pyridinyl]methyl]-1-[4-(1,3-oxazol-4-yl)phenyl]piperidin-2-one?
The canonical SMILES for 3-[[3-(4-methylpiperazin-1-yl)-2-pyridinyl]methyl]-1-[4-(1,3-oxazol-4-yl)phenyl]piperidin-2-one is CN1CCN(c2cccnc2CC2CCCN(c3ccc(-c4cocn4)cc3)C2=O)CC1.
What is the InChIKey of 3-[[3-(4-methylpiperazin-1-yl)-2-pyridinyl]methyl]-1-[4-(1,3-oxazol-4-yl)phenyl]piperidin-2-one?
The InChIKey is MFJGBSXMZXNGKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N5O2/c1-28-12-14-29(15-13-28)24-5-2-10-26-22(24)16-20-4-3-11-30(25(20)31)21-8-6-19(7-9-21)23-17-32-18-27-23/h2,5-10,17-18,20H,3-4,11-16H2,1H3.
What are the key properties of 3-[[3-(4-methylpiperazin-1-yl)-2-pyridinyl]methyl]-1-[4-(1,3-oxazol-4-yl)phenyl]piperidin-2-one?
3-[[3-(4-methylpiperazin-1-yl)-2-pyridinyl]methyl]-1-[4-(1,3-oxazol-4-yl)phenyl]piperidin-2-one has a molecular weight of 431.54 g/mol, XLogP of 3.47, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(4-methylpiperazin-1-yl)-2-pyridinyl]methyl]-1-[4-(1,3-oxazol-4-yl)phenyl]piperidin-2-one is sourced from PubChem (CID 11952869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).