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

C29H37N5O2 — CID 11952774

IUPAC(3S)-1-[4-(2-tert-butyl-1,3-oxazol-4-yl)phenyl]-3-[[3-(4-methylpiperazin-1-yl)-2-pyridinyl]methyl]piperidin-2-one
SMILESCN1CCN(c2cccnc2C[C@@H]2CCCN(c3ccc(-c4coc(C(C)(C)C)n4)cc3)C2=O)CC1
InChIInChI=1S/C29H37N5O2/c1-29(2,3)28-31-25(20-36-28)21-9-11-23(12-10-21)34-14-6-7-22(27(34)35)19-24-26(8-5-13-30-24)33-17-15-32(4)16-18-33/h5,8-13,20,22H,6-7,14-19H2,1-4H3/t22-/m0/s1
InChIKeyFUSIHSGQKSJPDJ-QFIPXVFZSA-N
MW487.65 g/mol
LogP4.77
Rot. Bonds5

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

(3S)-1-[4-(2-tert-butyl-1,3-oxazol-4-yl)phenyl]-3-[[3-(4-methylpiperazin-1-yl)-2-pyridinyl]methyl]piperidin-2-one (PubChem CID 11952774) has the molecular formula C29H37N5O2 and a molecular weight of 487.65 g/mol. Its IUPAC name is (3S)-1-[4-(2-tert-butyl-1,3-oxazol-4-yl)phenyl]-3-[[3-(4-methylpiperazin-1-yl)-2-pyridinyl]methyl]piperidin-2-one.

Molecular Properties

Compound Name(3S)-1-[4-(2-tert-butyl-1,3-oxazol-4-yl)phenyl]-3-[[3-(4-methylpiperazin-1-yl)-2-pyridinyl]methyl]piperidin-2-one
PubChem CID11952774
Molecular FormulaC29H37N5O2
Molecular Weight487.65 g/mol
Exact Mass487.29
IUPAC Name(3S)-1-[4-(2-tert-butyl-1,3-oxazol-4-yl)phenyl]-3-[[3-(4-methylpiperazin-1-yl)-2-pyridinyl]methyl]piperidin-2-one
SMILESCN1CCN(c2cccnc2C[C@@H]2CCCN(c3ccc(-c4coc(C(C)(C)C)n4)cc3)C2=O)CC1
InChIInChI=1S/C29H37N5O2/c1-29(2,3)28-31-25(20-36-28)21-9-11-23(12-10-21)34-14-6-7-22(27(34)35)19-24-26(8-5-13-30-24)33-17-15-32(4)16-18-33/h5,8-13,20,22H,6-7,14-19H2,1-4H3/t22-/m0/s1
InChIKeyFUSIHSGQKSJPDJ-QFIPXVFZSA-N
XLogP4.77
TPSA65.71 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.65
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[[3-(4-methylpiperazin-1-yl)-2-pyridinyl]methyl]-1-[4-(1,3-oxazol-4-yl)phenyl]piperidin-2-one
CID 11952869
1-[4-(1-methoxycyclobutyl)phenyl]-3-[[3-(4-methylpiperazin-1-yl)-2-pyridinyl]methyl]pyrrolidin-2-one
CID 11953047
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
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
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
(2R)-4-(4-tert-butylphenyl)-2-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]morpholin-3-one
CID 15984336
(3S)-1-[6-(3-hydroxypentan-3-yl)-3-pyridinyl]-3-[[2-(4-(111C)methylpiperazin-1-yl)phenyl]methyl]pyrrolidin-2-one
CID 59782576
1-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-[[2-(3,4,5-trimethylpiperazin-1-yl)phenyl]methyl]piperidin-2-one
CID 11597590
(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-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidine
CID 70794404

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[4-(2-tert-butyl-1,3-oxazol-4-yl)phenyl]-3-[[3-(4-methylpiperazin-1-yl)-2-pyridinyl]methyl]piperidin-2-one?
The IUPAC name of (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) is (3S)-1-[4-(2-tert-butyl-1,3-oxazol-4-yl)phenyl]-3-[[3-(4-methylpiperazin-1-yl)-2-pyridinyl]methyl]piperidin-2-one.
What is the SMILES notation for (3S)-1-[4-(2-tert-butyl-1,3-oxazol-4-yl)phenyl]-3-[[3-(4-methylpiperazin-1-yl)-2-pyridinyl]methyl]piperidin-2-one?
The canonical SMILES for (3S)-1-[4-(2-tert-butyl-1,3-oxazol-4-yl)phenyl]-3-[[3-(4-methylpiperazin-1-yl)-2-pyridinyl]methyl]piperidin-2-one is CN1CCN(c2cccnc2C[C@@H]2CCCN(c3ccc(-c4coc(C(C)(C)C)n4)cc3)C2=O)CC1.
What is the InChIKey of (3S)-1-[4-(2-tert-butyl-1,3-oxazol-4-yl)phenyl]-3-[[3-(4-methylpiperazin-1-yl)-2-pyridinyl]methyl]piperidin-2-one?
The InChIKey is FUSIHSGQKSJPDJ-QFIPXVFZSA-N. The full InChI is InChI=1S/C29H37N5O2/c1-29(2,3)28-31-25(20-36-28)21-9-11-23(12-10-21)34-14-6-7-22(27(34)35)19-24-26(8-5-13-30-24)33-17-15-32(4)16-18-33/h5,8-13,20,22H,6-7,14-19H2,1-4H3/t22-/m0/s1.
What are the key properties of (3S)-1-[4-(2-tert-butyl-1,3-oxazol-4-yl)phenyl]-3-[[3-(4-methylpiperazin-1-yl)-2-pyridinyl]methyl]piperidin-2-one?
(3S)-1-[4-(2-tert-butyl-1,3-oxazol-4-yl)phenyl]-3-[[3-(4-methylpiperazin-1-yl)-2-pyridinyl]methyl]piperidin-2-one has a molecular weight of 487.65 g/mol, XLogP of 4.77, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[4-(2-tert-butyl-1,3-oxazol-4-yl)phenyl]-3-[[3-(4-methylpiperazin-1-yl)-2-pyridinyl]methyl]piperidin-2-one is sourced from PubChem (CID 11952774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).