4-methoxy-N-[2-[(2-methylpiperidin-4-yl)amino]-2-oxo-1-phenylethyl]benzamide

C22H27N3O3 — CID 120602324

IUPAC4-methoxy-N-[2-[(2-methylpiperidin-4-yl)amino]-2-oxo-1-phenylethyl]benzamide
SMILESCOc1ccc(C(=O)NC(C(=O)NC2CCNC(C)C2)c2ccccc2)cc1
InChIInChI=1S/C22H27N3O3/c1-15-14-18(12-13-23-15)24-22(27)20(16-6-4-3-5-7-16)25-21(26)17-8-10-19(28-2)11-9-17/h3-11,15,18,20,23H,12-14H2,1-2H3,(H,24,27)(H,25,26)
InChIKeyBQIXRBCMKLKXDG-UHFFFAOYSA-N
MW381.48 g/mol
LogP2.42
Rot. Bonds6

About 4-methoxy-N-[2-[(2-methylpiperidin-4-yl)amino]-2-oxo-1-phenylethyl]benzamide

4-methoxy-N-[2-[(2-methylpiperidin-4-yl)amino]-2-oxo-1-phenylethyl]benzamide (PubChem CID 120602324) has the molecular formula C22H27N3O3 and a molecular weight of 381.48 g/mol. Its IUPAC name is 4-methoxy-N-[2-[(2-methylpiperidin-4-yl)amino]-2-oxo-1-phenylethyl]benzamide.

Molecular Properties

Compound Name4-methoxy-N-[2-[(2-methylpiperidin-4-yl)amino]-2-oxo-1-phenylethyl]benzamide
PubChem CID120602324
Molecular FormulaC22H27N3O3
Molecular Weight381.48 g/mol
Exact Mass381.21
IUPAC Name4-methoxy-N-[2-[(2-methylpiperidin-4-yl)amino]-2-oxo-1-phenylethyl]benzamide
SMILESCOc1ccc(C(=O)NC(C(=O)NC2CCNC(C)C2)c2ccccc2)cc1
InChIInChI=1S/C22H27N3O3/c1-15-14-18(12-13-23-15)24-22(27)20(16-6-4-3-5-7-16)25-21(26)17-8-10-19(28-2)11-9-17/h3-11,15,18,20,23H,12-14H2,1-2H3,(H,24,27)(H,25,26)
InChIKeyBQIXRBCMKLKXDG-UHFFFAOYSA-N
XLogP2.42
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 52.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-N-(2-methylpiperidin-4-yl)benzamide
CID 106995490
(2R)-2-[(4-methoxybenzoyl)amino]-2-phenylacetate
CID 6948068
N-[2-oxo-1-phenyl-2-(pyrrolidin-3-ylamino)ethyl]benzamide
CID 119449549
N-(2-amino-2-oxo-1-phenylethyl)-4-methoxybenzamide
CID 51315270
4-methoxy-N-[2-[4-(methylamino)piperidin-1-yl]-2-oxo-1-phenylethyl]benzamide;hydrochloride
CID 119562927
N-[(R)-cyclopentyl(phenyl)methyl]-4-methoxybenzamide
CID 978301
4-ethoxy-N-[3-methyl-1-[(2-methylpiperidin-4-yl)amino]-1-oxobutan-2-yl]benzamide;hydrochloride
CID 120600670
4-(2-methoxyethoxy)-N-(2-methylpiperidin-4-yl)benzamide;hydrochloride
CID 120601539
N-(2-methylpiperidin-4-yl)-2-phenylbutanamide;hydrochloride
CID 120598998
N-(2-methylpiperidin-4-yl)-2-phenoxypropanamide;hydrochloride
CID 120598370
(2R)-2-[[2-[(4-methoxybenzoyl)amino]-2-phenylacetyl]amino]-4-methylpentanoic acid
CID 119364694
N-(2-methylpiperidin-4-yl)-3,3-diphenylpropanamide
CID 120598997

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[2-[(2-methylpiperidin-4-yl)amino]-2-oxo-1-phenylethyl]benzamide?
The IUPAC name of 4-methoxy-N-[2-[(2-methylpiperidin-4-yl)amino]-2-oxo-1-phenylethyl]benzamide (CID 120602324) is 4-methoxy-N-[2-[(2-methylpiperidin-4-yl)amino]-2-oxo-1-phenylethyl]benzamide.
What is the SMILES notation for 4-methoxy-N-[2-[(2-methylpiperidin-4-yl)amino]-2-oxo-1-phenylethyl]benzamide?
The canonical SMILES for 4-methoxy-N-[2-[(2-methylpiperidin-4-yl)amino]-2-oxo-1-phenylethyl]benzamide is COc1ccc(C(=O)NC(C(=O)NC2CCNC(C)C2)c2ccccc2)cc1.
What is the InChIKey of 4-methoxy-N-[2-[(2-methylpiperidin-4-yl)amino]-2-oxo-1-phenylethyl]benzamide?
The InChIKey is BQIXRBCMKLKXDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O3/c1-15-14-18(12-13-23-15)24-22(27)20(16-6-4-3-5-7-16)25-21(26)17-8-10-19(28-2)11-9-17/h3-11,15,18,20,23H,12-14H2,1-2H3,(H,24,27)(H,25,26).
What are the key properties of 4-methoxy-N-[2-[(2-methylpiperidin-4-yl)amino]-2-oxo-1-phenylethyl]benzamide?
4-methoxy-N-[2-[(2-methylpiperidin-4-yl)amino]-2-oxo-1-phenylethyl]benzamide has a molecular weight of 381.48 g/mol, XLogP of 2.42, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[2-[(2-methylpiperidin-4-yl)amino]-2-oxo-1-phenylethyl]benzamide is sourced from PubChem (CID 120602324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).