2-chloro-N-[(1R)-1-[1-(2-methylbenzoyl)piperidin-4-yl]-2-(2-methylpropylamino)-2-oxoethyl]benzamide

C26H32ClN3O3 — CID 93197220

IUPAC2-chloro-N-[(1R)-1-[1-(2-methylbenzoyl)piperidin-4-yl]-2-(2-methylpropylamino)-2-oxoethyl]benzamide
SMILESCc1ccccc1C(=O)N1CCC([C@@H](NC(=O)c2ccccc2Cl)C(=O)NCC(C)C)CC1
InChIInChI=1S/C26H32ClN3O3/c1-17(2)16-28-25(32)23(29-24(31)21-10-6-7-11-22(21)27)19-12-14-30(15-13-19)26(33)20-9-5-4-8-18(20)3/h4-11,17,19,23H,12-16H2,1-3H3,(H,28,32)(H,29,31)/t23-/m1/s1
InChIKeyGDQJLTDCJGMKAL-HSZRJFAPSA-N
MW470.01 g/mol
LogP4.07
Rot. Bonds7

About 2-chloro-N-[(1R)-1-[1-(2-methylbenzoyl)piperidin-4-yl]-2-(2-methylpropylamino)-2-oxoethyl]benzamide

2-chloro-N-[(1R)-1-[1-(2-methylbenzoyl)piperidin-4-yl]-2-(2-methylpropylamino)-2-oxoethyl]benzamide (PubChem CID 93197220) has the molecular formula C26H32ClN3O3 and a molecular weight of 470.01 g/mol. Its IUPAC name is 2-chloro-N-[(1R)-1-[1-(2-methylbenzoyl)piperidin-4-yl]-2-(2-methylpropylamino)-2-oxoethyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[(1R)-1-[1-(2-methylbenzoyl)piperidin-4-yl]-2-(2-methylpropylamino)-2-oxoethyl]benzamide
PubChem CID93197220
Molecular FormulaC26H32ClN3O3
Molecular Weight470.01 g/mol
Exact Mass469.21
IUPAC Name2-chloro-N-[(1R)-1-[1-(2-methylbenzoyl)piperidin-4-yl]-2-(2-methylpropylamino)-2-oxoethyl]benzamide
SMILESCc1ccccc1C(=O)N1CCC([C@@H](NC(=O)c2ccccc2Cl)C(=O)NCC(C)C)CC1
InChIInChI=1S/C26H32ClN3O3/c1-17(2)16-28-25(32)23(29-24(31)21-10-6-7-11-22(21)27)19-12-14-30(15-13-19)26(33)20-9-5-4-8-18(20)3/h4-11,17,19,23H,12-16H2,1-3H3,(H,28,32)(H,29,31)/t23-/m1/s1
InChIKeyGDQJLTDCJGMKAL-HSZRJFAPSA-N
XLogP4.07
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.01
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-[1-[1-(2-methylbenzoyl)piperidin-4-yl]-2-(2-methylpropylamino)-2-oxoethyl]propanamide
CID 46031954
2-chloro-N-[1-[1-(4-methylbenzoyl)piperidin-4-yl]-2-(2-methylpropylamino)-2-oxoethyl]benzamide
CID 46019378
3-methyl-N-[1-[1-(2-methylbenzoyl)piperidin-4-yl]-2-(2-methylpropylamino)-2-oxoethyl]butanamide
CID 46032262
4-[1-[(2-chlorobenzoyl)amino]-2-(2-methylpropylamino)-2-oxoethyl]-N-ethylpiperidine-1-carboxamide
CID 46020650
2-methyl-N-[1-[1-(3-methylbutanoyl)piperidin-4-yl]-2-(2-methylpropylamino)-2-oxoethyl]benzamide
CID 46019107
2-methyl-N-[1-[1-(3-methylbenzoyl)piperidin-4-yl]-2-(2-methylpropylamino)-2-oxoethyl]benzamide
CID 46019117
2-methyl-N-[(1S)-1-[1-(3-methylbenzoyl)piperidin-4-yl]-2-(2-methylpropylamino)-2-oxoethyl]benzamide
CID 93196567
N-tert-butyl-4-[1-[(2-chlorobenzoyl)amino]-2-(2-methylpropylamino)-2-oxoethyl]piperidine-1-carboxamide
CID 46020649
2-chloro-N-[(1R)-1-[1-(3-fluorobenzoyl)piperidin-4-yl]-2-(2-methylpropylamino)-2-oxoethyl]benzamide
CID 93197204
N-[1-[1-(3-fluorobenzoyl)piperidin-4-yl]-2-(2-methylpropylamino)-2-oxoethyl]-2-methylbenzamide
CID 46019114
N-[2-(2-methoxyethylamino)-1-[1-(2-methylbenzoyl)piperidin-4-yl]-2-oxoethyl]-2-methylbenzamide
CID 46019129
N-[(1R)-2-(2-methoxyethylamino)-1-[1-(2-methylbenzoyl)piperidin-4-yl]-2-oxoethyl]-2-methylbenzamide
CID 93196594

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(1R)-1-[1-(2-methylbenzoyl)piperidin-4-yl]-2-(2-methylpropylamino)-2-oxoethyl]benzamide?
The IUPAC name of 2-chloro-N-[(1R)-1-[1-(2-methylbenzoyl)piperidin-4-yl]-2-(2-methylpropylamino)-2-oxoethyl]benzamide (CID 93197220) is 2-chloro-N-[(1R)-1-[1-(2-methylbenzoyl)piperidin-4-yl]-2-(2-methylpropylamino)-2-oxoethyl]benzamide.
What is the SMILES notation for 2-chloro-N-[(1R)-1-[1-(2-methylbenzoyl)piperidin-4-yl]-2-(2-methylpropylamino)-2-oxoethyl]benzamide?
The canonical SMILES for 2-chloro-N-[(1R)-1-[1-(2-methylbenzoyl)piperidin-4-yl]-2-(2-methylpropylamino)-2-oxoethyl]benzamide is Cc1ccccc1C(=O)N1CCC([C@@H](NC(=O)c2ccccc2Cl)C(=O)NCC(C)C)CC1.
What is the InChIKey of 2-chloro-N-[(1R)-1-[1-(2-methylbenzoyl)piperidin-4-yl]-2-(2-methylpropylamino)-2-oxoethyl]benzamide?
The InChIKey is GDQJLTDCJGMKAL-HSZRJFAPSA-N. The full InChI is InChI=1S/C26H32ClN3O3/c1-17(2)16-28-25(32)23(29-24(31)21-10-6-7-11-22(21)27)19-12-14-30(15-13-19)26(33)20-9-5-4-8-18(20)3/h4-11,17,19,23H,12-16H2,1-3H3,(H,28,32)(H,29,31)/t23-/m1/s1.
What are the key properties of 2-chloro-N-[(1R)-1-[1-(2-methylbenzoyl)piperidin-4-yl]-2-(2-methylpropylamino)-2-oxoethyl]benzamide?
2-chloro-N-[(1R)-1-[1-(2-methylbenzoyl)piperidin-4-yl]-2-(2-methylpropylamino)-2-oxoethyl]benzamide has a molecular weight of 470.01 g/mol, XLogP of 4.07, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(1R)-1-[1-(2-methylbenzoyl)piperidin-4-yl]-2-(2-methylpropylamino)-2-oxoethyl]benzamide is sourced from PubChem (CID 93197220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).