4-(1-acetylpiperidin-4-yl)oxy-3-methoxy-N-methyl-N-[(3-propyl-1H-pyrazol-5-yl)methyl]benzamide

C23H32N4O4 — CID 26402188

IUPAC4-(1-acetylpiperidin-4-yl)oxy-3-methoxy-N-methyl-N-[(3-propyl-1H-pyrazol-5-yl)methyl]benzamide
SMILESCCCc1cc(CN(C)C(=O)c2ccc(OC3CCN(C(C)=O)CC3)c(OC)c2)[nH]n1
InChIInChI=1S/C23H32N4O4/c1-5-6-18-14-19(25-24-18)15-26(3)23(29)17-7-8-21(22(13-17)30-4)31-20-9-11-27(12-10-20)16(2)28/h7-8,13-14,20H,5-6,9-12,15H2,1-4H3,(H,24,25)
InChIKeyWZXZIRSMCIWJEO-UHFFFAOYSA-N
MW428.53 g/mol
LogP3.03
Rot. Bonds8

About 4-(1-acetylpiperidin-4-yl)oxy-3-methoxy-N-methyl-N-[(3-propyl-1H-pyrazol-5-yl)methyl]benzamide

4-(1-acetylpiperidin-4-yl)oxy-3-methoxy-N-methyl-N-[(3-propyl-1H-pyrazol-5-yl)methyl]benzamide (PubChem CID 26402188) has the molecular formula C23H32N4O4 and a molecular weight of 428.53 g/mol. Its IUPAC name is 4-(1-acetylpiperidin-4-yl)oxy-3-methoxy-N-methyl-N-[(3-propyl-1H-pyrazol-5-yl)methyl]benzamide.

Molecular Properties

Compound Name4-(1-acetylpiperidin-4-yl)oxy-3-methoxy-N-methyl-N-[(3-propyl-1H-pyrazol-5-yl)methyl]benzamide
PubChem CID26402188
Molecular FormulaC23H32N4O4
Molecular Weight428.53 g/mol
Exact Mass428.24
IUPAC Name4-(1-acetylpiperidin-4-yl)oxy-3-methoxy-N-methyl-N-[(3-propyl-1H-pyrazol-5-yl)methyl]benzamide
SMILESCCCc1cc(CN(C)C(=O)c2ccc(OC3CCN(C(C)=O)CC3)c(OC)c2)[nH]n1
InChIInChI=1S/C23H32N4O4/c1-5-6-18-14-19(25-24-18)15-26(3)23(29)17-7-8-21(22(13-17)30-4)31-20-9-11-27(12-10-20)16(2)28/h7-8,13-14,20H,5-6,9-12,15H2,1-4H3,(H,24,25)
InChIKeyWZXZIRSMCIWJEO-UHFFFAOYSA-N
XLogP3.03
TPSA87.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.53
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(1-acetylpiperidin-4-yl)oxy-3-methoxy-N-methyl-N-[(3-propyl-1H-pyrazol-5-yl)methyl]benzamide?
The IUPAC name of 4-(1-acetylpiperidin-4-yl)oxy-3-methoxy-N-methyl-N-[(3-propyl-1H-pyrazol-5-yl)methyl]benzamide (CID 26402188) is 4-(1-acetylpiperidin-4-yl)oxy-3-methoxy-N-methyl-N-[(3-propyl-1H-pyrazol-5-yl)methyl]benzamide.
What is the SMILES notation for 4-(1-acetylpiperidin-4-yl)oxy-3-methoxy-N-methyl-N-[(3-propyl-1H-pyrazol-5-yl)methyl]benzamide?
The canonical SMILES for 4-(1-acetylpiperidin-4-yl)oxy-3-methoxy-N-methyl-N-[(3-propyl-1H-pyrazol-5-yl)methyl]benzamide is CCCc1cc(CN(C)C(=O)c2ccc(OC3CCN(C(C)=O)CC3)c(OC)c2)[nH]n1.
What is the InChIKey of 4-(1-acetylpiperidin-4-yl)oxy-3-methoxy-N-methyl-N-[(3-propyl-1H-pyrazol-5-yl)methyl]benzamide?
The InChIKey is WZXZIRSMCIWJEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N4O4/c1-5-6-18-14-19(25-24-18)15-26(3)23(29)17-7-8-21(22(13-17)30-4)31-20-9-11-27(12-10-20)16(2)28/h7-8,13-14,20H,5-6,9-12,15H2,1-4H3,(H,24,25).
What are the key properties of 4-(1-acetylpiperidin-4-yl)oxy-3-methoxy-N-methyl-N-[(3-propyl-1H-pyrazol-5-yl)methyl]benzamide?
4-(1-acetylpiperidin-4-yl)oxy-3-methoxy-N-methyl-N-[(3-propyl-1H-pyrazol-5-yl)methyl]benzamide has a molecular weight of 428.53 g/mol, XLogP of 3.03, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-acetylpiperidin-4-yl)oxy-3-methoxy-N-methyl-N-[(3-propyl-1H-pyrazol-5-yl)methyl]benzamide is sourced from PubChem (CID 26402188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).