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

C22H26N2O3 — CID 39512486

IUPAC2-methyl-N-[1-(3-phenoxypropanoyl)piperidin-4-yl]benzamide
SMILESCc1ccccc1C(=O)NC1CCN(C(=O)CCOc2ccccc2)CC1
InChIInChI=1S/C22H26N2O3/c1-17-7-5-6-10-20(17)22(26)23-18-11-14-24(15-12-18)21(25)13-16-27-19-8-3-2-4-9-19/h2-10,18H,11-16H2,1H3,(H,23,26)
InChIKeyWSCQHQLYWKJJNX-UHFFFAOYSA-N
MW366.46 g/mol
LogP3.18
Rot. Bonds6

About 2-methyl-N-[1-(3-phenoxypropanoyl)piperidin-4-yl]benzamide

2-methyl-N-[1-(3-phenoxypropanoyl)piperidin-4-yl]benzamide (PubChem CID 39512486) has the molecular formula C22H26N2O3 and a molecular weight of 366.46 g/mol. Its IUPAC name is 2-methyl-N-[1-(3-phenoxypropanoyl)piperidin-4-yl]benzamide.

Molecular Properties

Compound Name2-methyl-N-[1-(3-phenoxypropanoyl)piperidin-4-yl]benzamide
PubChem CID39512486
Molecular FormulaC22H26N2O3
Molecular Weight366.46 g/mol
Exact Mass366.19
IUPAC Name2-methyl-N-[1-(3-phenoxypropanoyl)piperidin-4-yl]benzamide
SMILESCc1ccccc1C(=O)NC1CCN(C(=O)CCOc2ccccc2)CC1
InChIInChI=1S/C22H26N2O3/c1-17-7-5-6-10-20(17)22(26)23-18-11-14-24(15-12-18)21(25)13-16-27-19-8-3-2-4-9-19/h2-10,18H,11-16H2,1H3,(H,23,26)
InChIKeyWSCQHQLYWKJJNX-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

2-methoxy-N-[1-(3-phenoxypropanoyl)piperidin-4-yl]benzamide
CID 108549234
2-fluoro-N-[1-(3-phenoxypropanoyl)piperidin-4-yl]benzamide
CID 108549375
4-methyl-N-[1-(3-phenoxypropanoyl)piperidin-4-yl]benzamide
CID 108549132
N-[1-[4-(4-chloro-3-methylphenoxy)butanoyl]piperidin-4-yl]-2-methylbenzamide
CID 39512383
2,5-dichloro-N-[1-(3-phenoxypropanoyl)piperidin-4-yl]benzamide
CID 108554611
N-[1-(3-phenoxypropanoyl)piperidin-4-yl]butanamide
CID 110820896
2-phenoxy-N-[1-(3-phenoxypropanoyl)piperidin-4-yl]acetamide
CID 108555833
2-(3,4-dimethylphenoxy)-N-[1-(3-phenoxypropanoyl)piperidin-4-yl]acetamide
CID 108553005
N-[1-(3-phenoxypropanoyl)piperidin-4-yl]-2,2-diphenylacetamide
CID 108549605
4-(4-methylphenoxy)-N-[1-(3-phenoxypropanoyl)piperidin-4-yl]butanamide
CID 108553445
N-[1-(3-methoxypropanoyl)piperidin-4-yl]-4-phenoxybutanamide
CID 108553641
1-[1-(3-phenoxypropanoyl)piperidin-4-yl]-3-propan-2-ylurea
CID 110820909

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[1-(3-phenoxypropanoyl)piperidin-4-yl]benzamide?
The IUPAC name of 2-methyl-N-[1-(3-phenoxypropanoyl)piperidin-4-yl]benzamide (CID 39512486) is 2-methyl-N-[1-(3-phenoxypropanoyl)piperidin-4-yl]benzamide.
What is the SMILES notation for 2-methyl-N-[1-(3-phenoxypropanoyl)piperidin-4-yl]benzamide?
The canonical SMILES for 2-methyl-N-[1-(3-phenoxypropanoyl)piperidin-4-yl]benzamide is Cc1ccccc1C(=O)NC1CCN(C(=O)CCOc2ccccc2)CC1.
What is the InChIKey of 2-methyl-N-[1-(3-phenoxypropanoyl)piperidin-4-yl]benzamide?
The InChIKey is WSCQHQLYWKJJNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O3/c1-17-7-5-6-10-20(17)22(26)23-18-11-14-24(15-12-18)21(25)13-16-27-19-8-3-2-4-9-19/h2-10,18H,11-16H2,1H3,(H,23,26).
What are the key properties of 2-methyl-N-[1-(3-phenoxypropanoyl)piperidin-4-yl]benzamide?
2-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 2-methyl-N-[1-(3-phenoxypropanoyl)piperidin-4-yl]benzamide is sourced from PubChem (CID 39512486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).