[2-[4-[(3S)-3-methyl-4-(3-methylphenyl)piperazine-1-carbonyl]-1,3-oxazol-5-yl]phenyl]-piperidin-1-ylmethanone

C28H32N4O3 — CID 95090567

IUPAC[2-[4-[(3S)-3-methyl-4-(3-methylphenyl)piperazine-1-carbonyl]-1,3-oxazol-5-yl]phenyl]-piperidin-1-ylmethanone
SMILESCc1cccc(N2CCN(C(=O)c3ncoc3-c3ccccc3C(=O)N3CCCCC3)C[C@@H]2C)c1
InChIInChI=1S/C28H32N4O3/c1-20-9-8-10-22(17-20)32-16-15-31(18-21(32)2)28(34)25-26(35-19-29-25)23-11-4-5-12-24(23)27(33)30-13-6-3-7-14-30/h4-5,8-12,17,19,21H,3,6-7,13-16,18H2,1-2H3/t21-/m0/s1
InChIKeyOCJMXKDLPCMEHO-NRFANRHFSA-N
MW472.59 g/mol
LogP4.63
Rot. Bonds4

About [2-[4-[(3S)-3-methyl-4-(3-methylphenyl)piperazine-1-carbonyl]-1,3-oxazol-5-yl]phenyl]-piperidin-1-ylmethanone

[2-[4-[(3S)-3-methyl-4-(3-methylphenyl)piperazine-1-carbonyl]-1,3-oxazol-5-yl]phenyl]-piperidin-1-ylmethanone (PubChem CID 95090567) has the molecular formula C28H32N4O3 and a molecular weight of 472.59 g/mol. Its IUPAC name is [2-[4-[(3S)-3-methyl-4-(3-methylphenyl)piperazine-1-carbonyl]-1,3-oxazol-5-yl]phenyl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[2-[4-[(3S)-3-methyl-4-(3-methylphenyl)piperazine-1-carbonyl]-1,3-oxazol-5-yl]phenyl]-piperidin-1-ylmethanone
PubChem CID95090567
Molecular FormulaC28H32N4O3
Molecular Weight472.59 g/mol
Exact Mass472.25
IUPAC Name[2-[4-[(3S)-3-methyl-4-(3-methylphenyl)piperazine-1-carbonyl]-1,3-oxazol-5-yl]phenyl]-piperidin-1-ylmethanone
SMILESCc1cccc(N2CCN(C(=O)c3ncoc3-c3ccccc3C(=O)N3CCCCC3)C[C@@H]2C)c1
InChIInChI=1S/C28H32N4O3/c1-20-9-8-10-22(17-20)32-16-15-31(18-21(32)2)28(34)25-26(35-19-29-25)23-11-4-5-12-24(23)27(33)30-13-6-3-7-14-30/h4-5,8-12,17,19,21H,3,6-7,13-16,18H2,1-2H3/t21-/m0/s1
InChIKeyOCJMXKDLPCMEHO-NRFANRHFSA-N
XLogP4.63
TPSA69.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.59
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[4-[(3R)-3-methyl-4-(3-methylphenyl)piperazine-1-carbonyl]-1,3-oxazol-5-yl]phenyl]-piperidin-1-ylmethanone
CID 95090568
piperidin-1-yl-[2-[4-(pyrrolidine-1-carbonyl)-1,3-oxazol-5-yl]phenyl]methanone
CID 53122822
[2-[4-(piperidine-1-carbonyl)-1,3-oxazol-5-yl]phenyl]-piperidin-1-ylmethanone
CID 53031921
azepan-1-yl-[2-[4-(4-phenylpiperazine-1-carbonyl)-1,3-oxazol-5-yl]phenyl]methanone
CID 53122960
[(3S)-3-methyl-4-(3-methylphenyl)piperazin-1-yl]-(1-piperidin-1-ylisoquinolin-4-yl)methanone
CID 92876993
azepan-1-yl-[2-[4-(4-benzylpiperidine-1-carbonyl)-1,3-oxazol-5-yl]phenyl]methanone
CID 53122967
1H-indazol-4-yl-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]methanone
CID 166207018
[2-[(2-chlorophenyl)methylsulfanyl]-3-pyridinyl]-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]methanone
CID 23736025
1-methyl-3-[3-methyl-4-(3-methylphenyl)piperazine-1-carbonyl]quinoxalin-2-one
CID 46364973
5-[2-(azepane-1-carbonyl)phenyl]-N-[(2R)-4-phenylbutan-2-yl]-1,3-oxazole-4-carboxamide
CID 95090581
3-methyl-6-[(3R)-3-methyl-4-(3-methylphenyl)piperazine-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 95075781
3-methyl-6-[3-methyl-4-(3-methylphenyl)piperazine-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 53094508

Frequently Asked Questions

What is the IUPAC name of [2-[4-[(3S)-3-methyl-4-(3-methylphenyl)piperazine-1-carbonyl]-1,3-oxazol-5-yl]phenyl]-piperidin-1-ylmethanone?
The IUPAC name of [2-[4-[(3S)-3-methyl-4-(3-methylphenyl)piperazine-1-carbonyl]-1,3-oxazol-5-yl]phenyl]-piperidin-1-ylmethanone (CID 95090567) is [2-[4-[(3S)-3-methyl-4-(3-methylphenyl)piperazine-1-carbonyl]-1,3-oxazol-5-yl]phenyl]-piperidin-1-ylmethanone.
What is the SMILES notation for [2-[4-[(3S)-3-methyl-4-(3-methylphenyl)piperazine-1-carbonyl]-1,3-oxazol-5-yl]phenyl]-piperidin-1-ylmethanone?
The canonical SMILES for [2-[4-[(3S)-3-methyl-4-(3-methylphenyl)piperazine-1-carbonyl]-1,3-oxazol-5-yl]phenyl]-piperidin-1-ylmethanone is Cc1cccc(N2CCN(C(=O)c3ncoc3-c3ccccc3C(=O)N3CCCCC3)C[C@@H]2C)c1.
What is the InChIKey of [2-[4-[(3S)-3-methyl-4-(3-methylphenyl)piperazine-1-carbonyl]-1,3-oxazol-5-yl]phenyl]-piperidin-1-ylmethanone?
The InChIKey is OCJMXKDLPCMEHO-NRFANRHFSA-N. The full InChI is InChI=1S/C28H32N4O3/c1-20-9-8-10-22(17-20)32-16-15-31(18-21(32)2)28(34)25-26(35-19-29-25)23-11-4-5-12-24(23)27(33)30-13-6-3-7-14-30/h4-5,8-12,17,19,21H,3,6-7,13-16,18H2,1-2H3/t21-/m0/s1.
What are the key properties of [2-[4-[(3S)-3-methyl-4-(3-methylphenyl)piperazine-1-carbonyl]-1,3-oxazol-5-yl]phenyl]-piperidin-1-ylmethanone?
[2-[4-[(3S)-3-methyl-4-(3-methylphenyl)piperazine-1-carbonyl]-1,3-oxazol-5-yl]phenyl]-piperidin-1-ylmethanone has a molecular weight of 472.59 g/mol, XLogP of 4.63, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-[(3S)-3-methyl-4-(3-methylphenyl)piperazine-1-carbonyl]-1,3-oxazol-5-yl]phenyl]-piperidin-1-ylmethanone is sourced from PubChem (CID 95090567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).