N-[4-[3-methyl-4-(3-methylphenyl)piperazine-1-carbonyl]phenyl]oxolane-2-carboxamide

C24H29N3O3 — CID 3236078

IUPACN-[4-[3-methyl-4-(3-methylphenyl)piperazine-1-carbonyl]phenyl]oxolane-2-carboxamide
SMILESCc1cccc(N2CCN(C(=O)c3ccc(NC(=O)C4CCCO4)cc3)CC2C)c1
InChIInChI=1S/C24H29N3O3/c1-17-5-3-6-21(15-17)27-13-12-26(16-18(27)2)24(29)19-8-10-20(11-9-19)25-23(28)22-7-4-14-30-22/h3,5-6,8-11,15,18,22H,4,7,12-14,16H2,1-2H3,(H,25,28)
InChIKeyDIFURBZJTBZVNE-UHFFFAOYSA-N
MW407.51 g/mol
LogP3.46
Rot. Bonds4

About N-[4-[3-methyl-4-(3-methylphenyl)piperazine-1-carbonyl]phenyl]oxolane-2-carboxamide

N-[4-[3-methyl-4-(3-methylphenyl)piperazine-1-carbonyl]phenyl]oxolane-2-carboxamide (PubChem CID 3236078) has the molecular formula C24H29N3O3 and a molecular weight of 407.51 g/mol. Its IUPAC name is N-[4-[3-methyl-4-(3-methylphenyl)piperazine-1-carbonyl]phenyl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[4-[3-methyl-4-(3-methylphenyl)piperazine-1-carbonyl]phenyl]oxolane-2-carboxamide
PubChem CID3236078
Molecular FormulaC24H29N3O3
Molecular Weight407.51 g/mol
Exact Mass407.22
IUPAC NameN-[4-[3-methyl-4-(3-methylphenyl)piperazine-1-carbonyl]phenyl]oxolane-2-carboxamide
SMILESCc1cccc(N2CCN(C(=O)c3ccc(NC(=O)C4CCCO4)cc3)CC2C)c1
InChIInChI=1S/C24H29N3O3/c1-17-5-3-6-21(15-17)27-13-12-26(16-18(27)2)24(29)19-8-10-20(11-9-19)25-23(28)22-7-4-14-30-22/h3,5-6,8-11,15,18,22H,4,7,12-14,16H2,1-2H3,(H,25,28)
InChIKeyDIFURBZJTBZVNE-UHFFFAOYSA-N
XLogP3.46
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.51
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-[3-methyl-4-(3-methylphenyl)piperazine-1-carbonyl]phenyl]oxolane-2-carboxamide?
The IUPAC name of N-[4-[3-methyl-4-(3-methylphenyl)piperazine-1-carbonyl]phenyl]oxolane-2-carboxamide (CID 3236078) is N-[4-[3-methyl-4-(3-methylphenyl)piperazine-1-carbonyl]phenyl]oxolane-2-carboxamide.
What is the SMILES notation for N-[4-[3-methyl-4-(3-methylphenyl)piperazine-1-carbonyl]phenyl]oxolane-2-carboxamide?
The canonical SMILES for N-[4-[3-methyl-4-(3-methylphenyl)piperazine-1-carbonyl]phenyl]oxolane-2-carboxamide is Cc1cccc(N2CCN(C(=O)c3ccc(NC(=O)C4CCCO4)cc3)CC2C)c1.
What is the InChIKey of N-[4-[3-methyl-4-(3-methylphenyl)piperazine-1-carbonyl]phenyl]oxolane-2-carboxamide?
The InChIKey is DIFURBZJTBZVNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O3/c1-17-5-3-6-21(15-17)27-13-12-26(16-18(27)2)24(29)19-8-10-20(11-9-19)25-23(28)22-7-4-14-30-22/h3,5-6,8-11,15,18,22H,4,7,12-14,16H2,1-2H3,(H,25,28).
What are the key properties of N-[4-[3-methyl-4-(3-methylphenyl)piperazine-1-carbonyl]phenyl]oxolane-2-carboxamide?
N-[4-[3-methyl-4-(3-methylphenyl)piperazine-1-carbonyl]phenyl]oxolane-2-carboxamide has a molecular weight of 407.51 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-methyl-4-(3-methylphenyl)piperazine-1-carbonyl]phenyl]oxolane-2-carboxamide is sourced from PubChem (CID 3236078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).