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

C26H32ClN3O3 — CID 46019378

IUPAC2-chloro-N-[1-[1-(4-methylbenzoyl)piperidin-4-yl]-2-(2-methylpropylamino)-2-oxoethyl]benzamide
SMILESCc1ccc(C(=O)N2CCC(C(NC(=O)c3ccccc3Cl)C(=O)NCC(C)C)CC2)cc1
InChIInChI=1S/C26H32ClN3O3/c1-17(2)16-28-25(32)23(29-24(31)21-6-4-5-7-22(21)27)19-12-14-30(15-13-19)26(33)20-10-8-18(3)9-11-20/h4-11,17,19,23H,12-16H2,1-3H3,(H,28,32)(H,29,31)
InChIKeyLDZHXGJNDWAZRY-UHFFFAOYSA-N
MW470.01 g/mol
LogP4.07
Rot. Bonds7

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

2-chloro-N-[1-[1-(4-methylbenzoyl)piperidin-4-yl]-2-(2-methylpropylamino)-2-oxoethyl]benzamide (PubChem CID 46019378) has the molecular formula C26H32ClN3O3 and a molecular weight of 470.01 g/mol. Its IUPAC name is 2-chloro-N-[1-[1-(4-methylbenzoyl)piperidin-4-yl]-2-(2-methylpropylamino)-2-oxoethyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[1-[1-(4-methylbenzoyl)piperidin-4-yl]-2-(2-methylpropylamino)-2-oxoethyl]benzamide
PubChem CID46019378
Molecular FormulaC26H32ClN3O3
Molecular Weight470.01 g/mol
Exact Mass469.21
IUPAC Name2-chloro-N-[1-[1-(4-methylbenzoyl)piperidin-4-yl]-2-(2-methylpropylamino)-2-oxoethyl]benzamide
SMILESCc1ccc(C(=O)N2CCC(C(NC(=O)c3ccccc3Cl)C(=O)NCC(C)C)CC2)cc1
InChIInChI=1S/C26H32ClN3O3/c1-17(2)16-28-25(32)23(29-24(31)21-6-4-5-7-22(21)27)19-12-14-30(15-13-19)26(33)20-10-8-18(3)9-11-20/h4-11,17,19,23H,12-16H2,1-3H3,(H,28,32)(H,29,31)
InChIKeyLDZHXGJNDWAZRY-UHFFFAOYSA-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-chloro-N-[(1R)-1-[1-(2-methylbenzoyl)piperidin-4-yl]-2-(2-methylpropylamino)-2-oxoethyl]benzamide
CID 93197220
N-[(1S)-2-[[(2S)-butan-2-yl]amino]-1-[1-(4-methylbenzoyl)piperidin-4-yl]-2-oxoethyl]-2-chlorobenzamide
CID 93197313
2-chloro-N-[(1R)-1-[1-(3-fluorobenzoyl)piperidin-4-yl]-2-(2-methylpropylamino)-2-oxoethyl]benzamide
CID 93197204
4-[1-[(2-chlorobenzoyl)amino]-2-(2-methylpropylamino)-2-oxoethyl]-N-ethylpiperidine-1-carboxamide
CID 46020650
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
3-methyl-N-[(1R)-1-[1-(4-methylbenzoyl)piperidin-4-yl]-2-(2-methylpropylamino)-2-oxoethyl]butanamide
CID 93231303
N-tert-butyl-4-[1-[(2-chlorobenzoyl)amino]-2-(2-methylpropylamino)-2-oxoethyl]piperidine-1-carboxamide
CID 46020649
N-[(1S)-1-[1-(4-fluorobenzoyl)piperidin-4-yl]-2-(2-methylpropylamino)-2-oxoethyl]benzamide
CID 93199265
N-[(1R)-1-[1-(3-fluorobenzoyl)piperidin-4-yl]-2-(2-methylpropylamino)-2-oxoethyl]-4-methylbenzamide
CID 93199679
N-[1-(1-benzoylpiperidin-4-yl)-2-(2-methylpropylamino)-2-oxoethyl]-2-methylpropanamide
CID 46154241
N-[1-[1-(3-fluorobenzoyl)piperidin-4-yl]-2-(2-methylpropylamino)-2-oxoethyl]-2-methylbenzamide
CID 46019114

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-[1-(4-methylbenzoyl)piperidin-4-yl]-2-(2-methylpropylamino)-2-oxoethyl]benzamide?
The IUPAC name of 2-chloro-N-[1-[1-(4-methylbenzoyl)piperidin-4-yl]-2-(2-methylpropylamino)-2-oxoethyl]benzamide (CID 46019378) is 2-chloro-N-[1-[1-(4-methylbenzoyl)piperidin-4-yl]-2-(2-methylpropylamino)-2-oxoethyl]benzamide.
What is the SMILES notation for 2-chloro-N-[1-[1-(4-methylbenzoyl)piperidin-4-yl]-2-(2-methylpropylamino)-2-oxoethyl]benzamide?
The canonical SMILES for 2-chloro-N-[1-[1-(4-methylbenzoyl)piperidin-4-yl]-2-(2-methylpropylamino)-2-oxoethyl]benzamide is Cc1ccc(C(=O)N2CCC(C(NC(=O)c3ccccc3Cl)C(=O)NCC(C)C)CC2)cc1.
What is the InChIKey of 2-chloro-N-[1-[1-(4-methylbenzoyl)piperidin-4-yl]-2-(2-methylpropylamino)-2-oxoethyl]benzamide?
The InChIKey is LDZHXGJNDWAZRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32ClN3O3/c1-17(2)16-28-25(32)23(29-24(31)21-6-4-5-7-22(21)27)19-12-14-30(15-13-19)26(33)20-10-8-18(3)9-11-20/h4-11,17,19,23H,12-16H2,1-3H3,(H,28,32)(H,29,31).
What are the key properties of 2-chloro-N-[1-[1-(4-methylbenzoyl)piperidin-4-yl]-2-(2-methylpropylamino)-2-oxoethyl]benzamide?
2-chloro-N-[1-[1-(4-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-[1-[1-(4-methylbenzoyl)piperidin-4-yl]-2-(2-methylpropylamino)-2-oxoethyl]benzamide is sourced from PubChem (CID 46019378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).