4-methyl-N-[1-(3-phenoxypropanoyl)piperidin-4-yl]benzamide

C22H26N2O3 — CID 108549132

IUPAC4-methyl-N-[1-(3-phenoxypropanoyl)piperidin-4-yl]benzamide
SMILESCc1ccc(C(=O)NC2CCN(C(=O)CCOc3ccccc3)CC2)cc1
InChIInChI=1S/C22H26N2O3/c1-17-7-9-18(10-8-17)22(26)23-19-11-14-24(15-12-19)21(25)13-16-27-20-5-3-2-4-6-20/h2-10,19H,11-16H2,1H3,(H,23,26)
InChIKeyDIRKDOJOTAVICW-UHFFFAOYSA-N
MW366.46 g/mol
LogP3.18
Rot. Bonds6

About 4-methyl-N-[1-(3-phenoxypropanoyl)piperidin-4-yl]benzamide

4-methyl-N-[1-(3-phenoxypropanoyl)piperidin-4-yl]benzamide (PubChem CID 108549132) has the molecular formula C22H26N2O3 and a molecular weight of 366.46 g/mol. Its IUPAC name is 4-methyl-N-[1-(3-phenoxypropanoyl)piperidin-4-yl]benzamide.

Molecular Properties

Compound Name4-methyl-N-[1-(3-phenoxypropanoyl)piperidin-4-yl]benzamide
PubChem CID108549132
Molecular FormulaC22H26N2O3
Molecular Weight366.46 g/mol
Exact Mass366.19
IUPAC Name4-methyl-N-[1-(3-phenoxypropanoyl)piperidin-4-yl]benzamide
SMILESCc1ccc(C(=O)NC2CCN(C(=O)CCOc3ccccc3)CC2)cc1
InChIInChI=1S/C22H26N2O3/c1-17-7-9-18(10-8-17)22(26)23-19-11-14-24(15-12-19)21(25)13-16-27-20-5-3-2-4-6-20/h2-10,19H,11-16H2,1H3,(H,23,26)
InChIKeyDIRKDOJOTAVICW-UHFFFAOYSA-N
XLogP3.18
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(3-phenoxypropanoyl)piperidin-4-yl]-4-(trifluoromethyl)benzamide
CID 108558573
N-[1-(3-phenoxypropanoyl)piperidin-4-yl]-4-pyrrol-1-ylbenzamide
CID 108554822
4-(4-methylphenoxy)-N-[1-(3-phenoxypropanoyl)piperidin-4-yl]butanamide
CID 108553445
4-methoxy-N-[1-[4-(4-methylphenoxy)butanoyl]piperidin-4-yl]benzamide
CID 108548924
2-methyl-N-[1-(3-phenoxypropanoyl)piperidin-4-yl]benzamide
CID 39512486
2-methoxy-N-[1-(3-phenoxypropanoyl)piperidin-4-yl]benzamide
CID 108549234
3-methyl-N-[1-[4-(4-methylphenoxy)butanoyl]piperidin-4-yl]benzamide
CID 108555362
N-[1-(3-phenoxypropanoyl)piperidin-4-yl]butanamide
CID 110820896
2-phenoxy-N-[1-(3-phenoxypropanoyl)piperidin-4-yl]acetamide
CID 108555833
2-fluoro-N-[1-(3-phenoxypropanoyl)piperidin-4-yl]benzamide
CID 108549375
N-[1-(3-phenoxypropanoyl)piperidin-4-yl]-2,2-diphenylacetamide
CID 108549605
4-methyl-N-[1-[3-(4-methylphenyl)propanoyl]piperidin-4-yl]benzamide
CID 108549141

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[1-(3-phenoxypropanoyl)piperidin-4-yl]benzamide?
The IUPAC name of 4-methyl-N-[1-(3-phenoxypropanoyl)piperidin-4-yl]benzamide (CID 108549132) is 4-methyl-N-[1-(3-phenoxypropanoyl)piperidin-4-yl]benzamide.
What is the SMILES notation for 4-methyl-N-[1-(3-phenoxypropanoyl)piperidin-4-yl]benzamide?
The canonical SMILES for 4-methyl-N-[1-(3-phenoxypropanoyl)piperidin-4-yl]benzamide is Cc1ccc(C(=O)NC2CCN(C(=O)CCOc3ccccc3)CC2)cc1.
What is the InChIKey of 4-methyl-N-[1-(3-phenoxypropanoyl)piperidin-4-yl]benzamide?
The InChIKey is DIRKDOJOTAVICW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O3/c1-17-7-9-18(10-8-17)22(26)23-19-11-14-24(15-12-19)21(25)13-16-27-20-5-3-2-4-6-20/h2-10,19H,11-16H2,1H3,(H,23,26).
What are the key properties of 4-methyl-N-[1-(3-phenoxypropanoyl)piperidin-4-yl]benzamide?
4-methyl-N-[1-(3-phenoxypropanoyl)piperidin-4-yl]benzamide has a molecular weight of 366.46 g/mol, XLogP of 3.18, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[1-(3-phenoxypropanoyl)piperidin-4-yl]benzamide is sourced from PubChem (CID 108549132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).