2-[(4-methoxybenzoyl)amino]-N-(piperidin-3-ylmethyl)benzamide

C21H25N3O3 — CID 119464314

IUPAC2-[(4-methoxybenzoyl)amino]-N-(piperidin-3-ylmethyl)benzamide
SMILESCOc1ccc(C(=O)Nc2ccccc2C(=O)NCC2CCCNC2)cc1
InChIInChI=1S/C21H25N3O3/c1-27-17-10-8-16(9-11-17)20(25)24-19-7-3-2-6-18(19)21(26)23-14-15-5-4-12-22-13-15/h2-3,6-11,15,22H,4-5,12-14H2,1H3,(H,23,26)(H,24,25)
InChIKeyUFCTXKFBNANQKS-UHFFFAOYSA-N
MW367.45 g/mol
LogP2.68
Rot. Bonds6

About 2-[(4-methoxybenzoyl)amino]-N-(piperidin-3-ylmethyl)benzamide

2-[(4-methoxybenzoyl)amino]-N-(piperidin-3-ylmethyl)benzamide (PubChem CID 119464314) has the molecular formula C21H25N3O3 and a molecular weight of 367.45 g/mol. Its IUPAC name is 2-[(4-methoxybenzoyl)amino]-N-(piperidin-3-ylmethyl)benzamide.

Molecular Properties

Compound Name2-[(4-methoxybenzoyl)amino]-N-(piperidin-3-ylmethyl)benzamide
PubChem CID119464314
Molecular FormulaC21H25N3O3
Molecular Weight367.45 g/mol
Exact Mass367.19
IUPAC Name2-[(4-methoxybenzoyl)amino]-N-(piperidin-3-ylmethyl)benzamide
SMILESCOc1ccc(C(=O)Nc2ccccc2C(=O)NCC2CCCNC2)cc1
InChIInChI=1S/C21H25N3O3/c1-27-17-10-8-16(9-11-17)20(25)24-19-7-3-2-6-18(19)21(26)23-14-15-5-4-12-22-13-15/h2-3,6-11,15,22H,4-5,12-14H2,1H3,(H,23,26)(H,24,25)
InChIKeyUFCTXKFBNANQKS-UHFFFAOYSA-N
XLogP2.68
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 52.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-methoxybenzoyl)amino]-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
CID 119537859
N-(piperidin-3-ylmethyl)-2-(propan-2-ylcarbamoylamino)benzamide
CID 119464217
4-methoxy-N-[3-methyl-1-oxo-1-(piperidin-3-ylmethylamino)butan-2-yl]benzamide
CID 119461802
N-[2-(cyclohexanecarbonylamino)ethyl]-2-[(4-methoxybenzoyl)amino]benzamide
CID 55855187
4-methoxy-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119556793
N-(piperidin-3-ylmethyl)benzamide;hydrochloride
CID 119461032
2-(4-fluorobenzoyl)-N-(piperidin-3-ylmethyl)benzamide
CID 119460024
2-iodo-3-methyl-N-(piperidin-3-ylmethyl)benzamide
CID 113265456
4-(phenylcarbamoylamino)-N-(piperidin-3-ylmethyl)benzamide;hydrochloride
CID 119462020
4-pentoxy-N-(piperidin-3-ylmethyl)benzamide
CID 119463502
N-[2-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl]phenyl]-4-methoxybenzamide
CID 120659632
N-[2-methyl-6-(piperidin-3-ylmethylcarbamoyl)phenyl]pyridine-4-carboxamide;dihydrochloride
CID 119461431

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxybenzoyl)amino]-N-(piperidin-3-ylmethyl)benzamide?
The IUPAC name of 2-[(4-methoxybenzoyl)amino]-N-(piperidin-3-ylmethyl)benzamide (CID 119464314) is 2-[(4-methoxybenzoyl)amino]-N-(piperidin-3-ylmethyl)benzamide.
What is the SMILES notation for 2-[(4-methoxybenzoyl)amino]-N-(piperidin-3-ylmethyl)benzamide?
The canonical SMILES for 2-[(4-methoxybenzoyl)amino]-N-(piperidin-3-ylmethyl)benzamide is COc1ccc(C(=O)Nc2ccccc2C(=O)NCC2CCCNC2)cc1.
What is the InChIKey of 2-[(4-methoxybenzoyl)amino]-N-(piperidin-3-ylmethyl)benzamide?
The InChIKey is UFCTXKFBNANQKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3/c1-27-17-10-8-16(9-11-17)20(25)24-19-7-3-2-6-18(19)21(26)23-14-15-5-4-12-22-13-15/h2-3,6-11,15,22H,4-5,12-14H2,1H3,(H,23,26)(H,24,25).
What are the key properties of 2-[(4-methoxybenzoyl)amino]-N-(piperidin-3-ylmethyl)benzamide?
2-[(4-methoxybenzoyl)amino]-N-(piperidin-3-ylmethyl)benzamide has a molecular weight of 367.45 g/mol, XLogP of 2.68, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxybenzoyl)amino]-N-(piperidin-3-ylmethyl)benzamide is sourced from PubChem (CID 119464314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).