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

C23H30N4O4 — CID 53168478

IUPACN-(3-methoxyphenyl)-4-[5-methyl-4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]piperidine-1-carboxamide
SMILESCOc1cccc(NC(=O)N2CCC(c3nc(C(=O)N4CCCCC4)c(C)o3)CC2)c1
InChIInChI=1S/C23H30N4O4/c1-16-20(22(28)26-11-4-3-5-12-26)25-21(31-16)17-9-13-27(14-10-17)23(29)24-18-7-6-8-19(15-18)30-2/h6-8,15,17H,3-5,9-14H2,1-2H3,(H,24,29)
InChIKeySNYOBEJYGQRXKJ-UHFFFAOYSA-N
MW426.52 g/mol
LogP4.03
Rot. Bonds4

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

N-(3-methoxyphenyl)-4-[5-methyl-4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]piperidine-1-carboxamide (PubChem CID 53168478) has the molecular formula C23H30N4O4 and a molecular weight of 426.52 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-4-[5-methyl-4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-4-[5-methyl-4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]piperidine-1-carboxamide
PubChem CID53168478
Molecular FormulaC23H30N4O4
Molecular Weight426.52 g/mol
Exact Mass426.23
IUPAC NameN-(3-methoxyphenyl)-4-[5-methyl-4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]piperidine-1-carboxamide
SMILESCOc1cccc(NC(=O)N2CCC(c3nc(C(=O)N4CCCCC4)c(C)o3)CC2)c1
InChIInChI=1S/C23H30N4O4/c1-16-20(22(28)26-11-4-3-5-12-26)25-21(31-16)17-9-13-27(14-10-17)23(29)24-18-7-6-8-19(15-18)30-2/h6-8,15,17H,3-5,9-14H2,1-2H3,(H,24,29)
InChIKeySNYOBEJYGQRXKJ-UHFFFAOYSA-N
XLogP4.03
TPSA87.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.52
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-4-[5-methyl-4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]piperidine-1-carboxamide?
The IUPAC name of N-(3-methoxyphenyl)-4-[5-methyl-4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]piperidine-1-carboxamide (CID 53168478) is N-(3-methoxyphenyl)-4-[5-methyl-4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]piperidine-1-carboxamide.
What is the SMILES notation for N-(3-methoxyphenyl)-4-[5-methyl-4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]piperidine-1-carboxamide?
The canonical SMILES for N-(3-methoxyphenyl)-4-[5-methyl-4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]piperidine-1-carboxamide is COc1cccc(NC(=O)N2CCC(c3nc(C(=O)N4CCCCC4)c(C)o3)CC2)c1.
What is the InChIKey of N-(3-methoxyphenyl)-4-[5-methyl-4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]piperidine-1-carboxamide?
The InChIKey is SNYOBEJYGQRXKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O4/c1-16-20(22(28)26-11-4-3-5-12-26)25-21(31-16)17-9-13-27(14-10-17)23(29)24-18-7-6-8-19(15-18)30-2/h6-8,15,17H,3-5,9-14H2,1-2H3,(H,24,29).
What are the key properties of N-(3-methoxyphenyl)-4-[5-methyl-4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]piperidine-1-carboxamide?
N-(3-methoxyphenyl)-4-[5-methyl-4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]piperidine-1-carboxamide has a molecular weight of 426.52 g/mol, XLogP of 4.03, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-4-[5-methyl-4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]piperidine-1-carboxamide is sourced from PubChem (CID 53168478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).