N-cyclopropyl-4-[[1-(4-methoxy-2-methylbenzoyl)piperidin-4-yl]methoxy]benzamide

C25H30N2O4 — CID 53150515

IUPACN-cyclopropyl-4-[[1-(4-methoxy-2-methylbenzoyl)piperidin-4-yl]methoxy]benzamide
SMILESCOc1ccc(C(=O)N2CCC(COc3ccc(C(=O)NC4CC4)cc3)CC2)c(C)c1
InChIInChI=1S/C25H30N2O4/c1-17-15-22(30-2)9-10-23(17)25(29)27-13-11-18(12-14-27)16-31-21-7-3-19(4-8-21)24(28)26-20-5-6-20/h3-4,7-10,15,18,20H,5-6,11-14,16H2,1-2H3,(H,26,28)
InChIKeyZUELXMRNDYZEQX-UHFFFAOYSA-N
MW422.53 g/mol
LogP3.83
Rot. Bonds7

About N-cyclopropyl-4-[[1-(4-methoxy-2-methylbenzoyl)piperidin-4-yl]methoxy]benzamide

N-cyclopropyl-4-[[1-(4-methoxy-2-methylbenzoyl)piperidin-4-yl]methoxy]benzamide (PubChem CID 53150515) has the molecular formula C25H30N2O4 and a molecular weight of 422.53 g/mol. Its IUPAC name is N-cyclopropyl-4-[[1-(4-methoxy-2-methylbenzoyl)piperidin-4-yl]methoxy]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-[[1-(4-methoxy-2-methylbenzoyl)piperidin-4-yl]methoxy]benzamide
PubChem CID53150515
Molecular FormulaC25H30N2O4
Molecular Weight422.53 g/mol
Exact Mass422.22
IUPAC NameN-cyclopropyl-4-[[1-(4-methoxy-2-methylbenzoyl)piperidin-4-yl]methoxy]benzamide
SMILESCOc1ccc(C(=O)N2CCC(COc3ccc(C(=O)NC4CC4)cc3)CC2)c(C)c1
InChIInChI=1S/C25H30N2O4/c1-17-15-22(30-2)9-10-23(17)25(29)27-13-11-18(12-14-27)16-31-21-7-3-19(4-8-21)24(28)26-20-5-6-20/h3-4,7-10,15,18,20H,5-6,11-14,16H2,1-2H3,(H,26,28)
InChIKeyZUELXMRNDYZEQX-UHFFFAOYSA-N
XLogP3.83
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.53
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[[1-(4-methoxy-2-methylbenzoyl)piperidin-4-yl]methoxy]benzamide?
The IUPAC name of N-cyclopropyl-4-[[1-(4-methoxy-2-methylbenzoyl)piperidin-4-yl]methoxy]benzamide (CID 53150515) is N-cyclopropyl-4-[[1-(4-methoxy-2-methylbenzoyl)piperidin-4-yl]methoxy]benzamide.
What is the SMILES notation for N-cyclopropyl-4-[[1-(4-methoxy-2-methylbenzoyl)piperidin-4-yl]methoxy]benzamide?
The canonical SMILES for N-cyclopropyl-4-[[1-(4-methoxy-2-methylbenzoyl)piperidin-4-yl]methoxy]benzamide is COc1ccc(C(=O)N2CCC(COc3ccc(C(=O)NC4CC4)cc3)CC2)c(C)c1.
What is the InChIKey of N-cyclopropyl-4-[[1-(4-methoxy-2-methylbenzoyl)piperidin-4-yl]methoxy]benzamide?
The InChIKey is ZUELXMRNDYZEQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2O4/c1-17-15-22(30-2)9-10-23(17)25(29)27-13-11-18(12-14-27)16-31-21-7-3-19(4-8-21)24(28)26-20-5-6-20/h3-4,7-10,15,18,20H,5-6,11-14,16H2,1-2H3,(H,26,28).
What are the key properties of N-cyclopropyl-4-[[1-(4-methoxy-2-methylbenzoyl)piperidin-4-yl]methoxy]benzamide?
N-cyclopropyl-4-[[1-(4-methoxy-2-methylbenzoyl)piperidin-4-yl]methoxy]benzamide has a molecular weight of 422.53 g/mol, XLogP of 3.83, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-[[1-(4-methoxy-2-methylbenzoyl)piperidin-4-yl]methoxy]benzamide is sourced from PubChem (CID 53150515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).