4-[5-methyl-4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]-N-(2-phenylethyl)piperidine-1-carboxamide

C24H32N4O3 — CID 53168479

IUPAC4-[5-methyl-4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]-N-(2-phenylethyl)piperidine-1-carboxamide
SMILESCc1oc(C2CCN(C(=O)NCCc3ccccc3)CC2)nc1C(=O)N1CCCCC1
InChIInChI=1S/C24H32N4O3/c1-18-21(23(29)27-14-6-3-7-15-27)26-22(31-18)20-11-16-28(17-12-20)24(30)25-13-10-19-8-4-2-5-9-19/h2,4-5,8-9,20H,3,6-7,10-17H2,1H3,(H,25,30)
InChIKeyVCVUDPVYQSIFAT-UHFFFAOYSA-N
MW424.55 g/mol
LogP3.74
Rot. Bonds5

About 4-[5-methyl-4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]-N-(2-phenylethyl)piperidine-1-carboxamide

4-[5-methyl-4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]-N-(2-phenylethyl)piperidine-1-carboxamide (PubChem CID 53168479) has the molecular formula C24H32N4O3 and a molecular weight of 424.55 g/mol. Its IUPAC name is 4-[5-methyl-4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]-N-(2-phenylethyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-[5-methyl-4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]-N-(2-phenylethyl)piperidine-1-carboxamide
PubChem CID53168479
Molecular FormulaC24H32N4O3
Molecular Weight424.55 g/mol
Exact Mass424.25
IUPAC Name4-[5-methyl-4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]-N-(2-phenylethyl)piperidine-1-carboxamide
SMILESCc1oc(C2CCN(C(=O)NCCc3ccccc3)CC2)nc1C(=O)N1CCCCC1
InChIInChI=1S/C24H32N4O3/c1-18-21(23(29)27-14-6-3-7-15-27)26-22(31-18)20-11-16-28(17-12-20)24(30)25-13-10-19-8-4-2-5-9-19/h2,4-5,8-9,20H,3,6-7,10-17H2,1H3,(H,25,30)
InChIKeyVCVUDPVYQSIFAT-UHFFFAOYSA-N
XLogP3.74
TPSA78.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.55
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[5-methyl-4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]-N-(2-phenylethyl)piperidine-1-carboxamide?
The IUPAC name of 4-[5-methyl-4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]-N-(2-phenylethyl)piperidine-1-carboxamide (CID 53168479) is 4-[5-methyl-4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]-N-(2-phenylethyl)piperidine-1-carboxamide.
What is the SMILES notation for 4-[5-methyl-4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]-N-(2-phenylethyl)piperidine-1-carboxamide?
The canonical SMILES for 4-[5-methyl-4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]-N-(2-phenylethyl)piperidine-1-carboxamide is Cc1oc(C2CCN(C(=O)NCCc3ccccc3)CC2)nc1C(=O)N1CCCCC1.
What is the InChIKey of 4-[5-methyl-4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]-N-(2-phenylethyl)piperidine-1-carboxamide?
The InChIKey is VCVUDPVYQSIFAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O3/c1-18-21(23(29)27-14-6-3-7-15-27)26-22(31-18)20-11-16-28(17-12-20)24(30)25-13-10-19-8-4-2-5-9-19/h2,4-5,8-9,20H,3,6-7,10-17H2,1H3,(H,25,30).
What are the key properties of 4-[5-methyl-4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]-N-(2-phenylethyl)piperidine-1-carboxamide?
4-[5-methyl-4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]-N-(2-phenylethyl)piperidine-1-carboxamide has a molecular weight of 424.55 g/mol, XLogP of 3.74, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-methyl-4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]-N-(2-phenylethyl)piperidine-1-carboxamide is sourced from PubChem (CID 53168479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).