N-[(1S)-2-(diethylamino)-1-[1-(2-methylbenzoyl)piperidin-4-yl]-2-oxoethyl]-3-methylbenzamide

C27H35N3O3 — CID 93198833

IUPACN-[(1S)-2-(diethylamino)-1-[1-(2-methylbenzoyl)piperidin-4-yl]-2-oxoethyl]-3-methylbenzamide
SMILESCCN(CC)C(=O)[C@@H](NC(=O)c1cccc(C)c1)C1CCN(C(=O)c2ccccc2C)CC1
InChIInChI=1S/C27H35N3O3/c1-5-29(6-2)27(33)24(28-25(31)22-12-9-10-19(3)18-22)21-14-16-30(17-15-21)26(32)23-13-8-7-11-20(23)4/h7-13,18,21,24H,5-6,14-17H2,1-4H3,(H,28,31)/t24-/m0/s1
InChIKeyMDWZYBQEGPGMTR-DEOSSOPVSA-N
MW449.60 g/mol
LogP3.82
Rot. Bonds7

About N-[(1S)-2-(diethylamino)-1-[1-(2-methylbenzoyl)piperidin-4-yl]-2-oxoethyl]-3-methylbenzamide

N-[(1S)-2-(diethylamino)-1-[1-(2-methylbenzoyl)piperidin-4-yl]-2-oxoethyl]-3-methylbenzamide (PubChem CID 93198833) has the molecular formula C27H35N3O3 and a molecular weight of 449.60 g/mol. Its IUPAC name is N-[(1S)-2-(diethylamino)-1-[1-(2-methylbenzoyl)piperidin-4-yl]-2-oxoethyl]-3-methylbenzamide.

Molecular Properties

Compound NameN-[(1S)-2-(diethylamino)-1-[1-(2-methylbenzoyl)piperidin-4-yl]-2-oxoethyl]-3-methylbenzamide
PubChem CID93198833
Molecular FormulaC27H35N3O3
Molecular Weight449.60 g/mol
Exact Mass449.27
IUPAC NameN-[(1S)-2-(diethylamino)-1-[1-(2-methylbenzoyl)piperidin-4-yl]-2-oxoethyl]-3-methylbenzamide
SMILESCCN(CC)C(=O)[C@@H](NC(=O)c1cccc(C)c1)C1CCN(C(=O)c2ccccc2C)CC1
InChIInChI=1S/C27H35N3O3/c1-5-29(6-2)27(33)24(28-25(31)22-12-9-10-19(3)18-22)21-14-16-30(17-15-21)26(32)23-13-8-7-11-20(23)4/h7-13,18,21,24H,5-6,14-17H2,1-4H3,(H,28,31)/t24-/m0/s1
InChIKeyMDWZYBQEGPGMTR-DEOSSOPVSA-N
XLogP3.82
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.60
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(diethylamino)-2-oxo-1-(1-propanoylpiperidin-4-yl)ethyl]-3-methylbenzamide
CID 46020048
3-methyl-N-[(1R)-1-[1-(2-methylbenzoyl)piperidin-4-yl]-2-morpholin-4-yl-2-oxoethyl]benzamide
CID 93199113
N-[2-(diethylamino)-1-[1-(3-methylbenzoyl)piperidin-4-yl]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide
CID 46019901
N-[2-(diethylamino)-1-[1-(2-methylbenzoyl)piperidin-4-yl]-2-oxoethyl]-3-methylbutanamide
CID 46032232
N-[(1S)-2-(diethylamino)-1-[1-(4-methylbenzoyl)piperidin-4-yl]-2-oxoethyl]-3-methoxybenzamide
CID 93198081
N-[(1R)-2-(diethylamino)-1-[1-(2-fluorobenzoyl)piperidin-4-yl]-2-oxoethyl]-4-fluorobenzamide
CID 93178801
2-methyl-N-[(1S)-1-[1-(3-methylbenzoyl)piperidin-4-yl]-2-(2-methylpropylamino)-2-oxoethyl]benzamide
CID 93196567
2-methyl-N-[1-[1-(3-methylbenzoyl)piperidin-4-yl]-2-(2-methylpropylamino)-2-oxoethyl]benzamide
CID 46019117
N-[(1R)-1-[1-(2-fluorobenzoyl)piperidin-4-yl]-2-oxo-2-(propylamino)ethyl]-3-methylbenzamide
CID 93198980
N-[(1R)-2-[[(2R)-butan-2-yl]amino]-1-[1-(2-methylbenzoyl)piperidin-4-yl]-2-oxoethyl]-4-methylbenzamide
CID 93199826
2-methyl-N-[(1S)-1-[1-(3-methylbenzoyl)piperidin-4-yl]-2-[[(2R)-3-methylbutan-2-yl]amino]-2-oxoethyl]benzamide
CID 93198002
N-[(1S)-1-[1-(2-fluorobenzoyl)piperidin-4-yl]-2-oxo-2-(prop-2-enylamino)ethyl]-3-methylbenzamide
CID 93199002

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-2-(diethylamino)-1-[1-(2-methylbenzoyl)piperidin-4-yl]-2-oxoethyl]-3-methylbenzamide?
The IUPAC name of N-[(1S)-2-(diethylamino)-1-[1-(2-methylbenzoyl)piperidin-4-yl]-2-oxoethyl]-3-methylbenzamide (CID 93198833) is N-[(1S)-2-(diethylamino)-1-[1-(2-methylbenzoyl)piperidin-4-yl]-2-oxoethyl]-3-methylbenzamide.
What is the SMILES notation for N-[(1S)-2-(diethylamino)-1-[1-(2-methylbenzoyl)piperidin-4-yl]-2-oxoethyl]-3-methylbenzamide?
The canonical SMILES for N-[(1S)-2-(diethylamino)-1-[1-(2-methylbenzoyl)piperidin-4-yl]-2-oxoethyl]-3-methylbenzamide is CCN(CC)C(=O)[C@@H](NC(=O)c1cccc(C)c1)C1CCN(C(=O)c2ccccc2C)CC1.
What is the InChIKey of N-[(1S)-2-(diethylamino)-1-[1-(2-methylbenzoyl)piperidin-4-yl]-2-oxoethyl]-3-methylbenzamide?
The InChIKey is MDWZYBQEGPGMTR-DEOSSOPVSA-N. The full InChI is InChI=1S/C27H35N3O3/c1-5-29(6-2)27(33)24(28-25(31)22-12-9-10-19(3)18-22)21-14-16-30(17-15-21)26(32)23-13-8-7-11-20(23)4/h7-13,18,21,24H,5-6,14-17H2,1-4H3,(H,28,31)/t24-/m0/s1.
What are the key properties of N-[(1S)-2-(diethylamino)-1-[1-(2-methylbenzoyl)piperidin-4-yl]-2-oxoethyl]-3-methylbenzamide?
N-[(1S)-2-(diethylamino)-1-[1-(2-methylbenzoyl)piperidin-4-yl]-2-oxoethyl]-3-methylbenzamide has a molecular weight of 449.60 g/mol, XLogP of 3.82, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-2-(diethylamino)-1-[1-(2-methylbenzoyl)piperidin-4-yl]-2-oxoethyl]-3-methylbenzamide is sourced from PubChem (CID 93198833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).