2-[4-[(3-chlorobenzoyl)amino]piperidin-1-yl]-N-[(2S)-3-methylbutan-2-yl]benzamide

C24H30ClN3O2 — CID 93324060

IUPAC2-[4-[(3-chlorobenzoyl)amino]piperidin-1-yl]-N-[(2S)-3-methylbutan-2-yl]benzamide
SMILESCC(C)[C@H](C)NC(=O)c1ccccc1N1CCC(NC(=O)c2cccc(Cl)c2)CC1
InChIInChI=1S/C24H30ClN3O2/c1-16(2)17(3)26-24(30)21-9-4-5-10-22(21)28-13-11-20(12-14-28)27-23(29)18-7-6-8-19(25)15-18/h4-10,15-17,20H,11-14H2,1-3H3,(H,26,30)(H,27,29)/t17-/m0/s1
InChIKeyHJAHWJLNOPRZFQ-KRWDZBQOSA-N
MW427.98 g/mol
LogP4.51
Rot. Bonds6

About 2-[4-[(3-chlorobenzoyl)amino]piperidin-1-yl]-N-[(2S)-3-methylbutan-2-yl]benzamide

2-[4-[(3-chlorobenzoyl)amino]piperidin-1-yl]-N-[(2S)-3-methylbutan-2-yl]benzamide (PubChem CID 93324060) has the molecular formula C24H30ClN3O2 and a molecular weight of 427.98 g/mol. Its IUPAC name is 2-[4-[(3-chlorobenzoyl)amino]piperidin-1-yl]-N-[(2S)-3-methylbutan-2-yl]benzamide.

Molecular Properties

Compound Name2-[4-[(3-chlorobenzoyl)amino]piperidin-1-yl]-N-[(2S)-3-methylbutan-2-yl]benzamide
PubChem CID93324060
Molecular FormulaC24H30ClN3O2
Molecular Weight427.98 g/mol
Exact Mass427.20
IUPAC Name2-[4-[(3-chlorobenzoyl)amino]piperidin-1-yl]-N-[(2S)-3-methylbutan-2-yl]benzamide
SMILESCC(C)[C@H](C)NC(=O)c1ccccc1N1CCC(NC(=O)c2cccc(Cl)c2)CC1
InChIInChI=1S/C24H30ClN3O2/c1-16(2)17(3)26-24(30)21-9-4-5-10-22(21)28-13-11-20(12-14-28)27-23(29)18-7-6-8-19(25)15-18/h4-10,15-17,20H,11-14H2,1-3H3,(H,26,30)(H,27,29)/t17-/m0/s1
InChIKeyHJAHWJLNOPRZFQ-KRWDZBQOSA-N
XLogP4.51
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.98
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[(3-fluorobenzoyl)amino]piperidin-1-yl]-N-(3-methylbutan-2-yl)benzamide
CID 46037800
2-[4-[(3-fluorobenzoyl)amino]piperidin-1-yl]-N-[(2S)-3-methylbutan-2-yl]benzamide
CID 93324056
2-[4-[(3-bromobenzoyl)amino]piperidin-1-yl]-N-[(2S)-3-methylbutan-2-yl]benzamide
CID 93324177
2-[4-[(2-chlorobenzoyl)amino]piperidin-1-yl]-N-[(2R)-3-methylbutan-2-yl]benzamide
CID 93324123
2-methyl-N-[1-[2-(3-methylbutan-2-ylcarbamoyl)phenyl]piperidin-4-yl]benzamide
CID 46037808
2-[4-[(3-chlorobenzoyl)amino]piperidin-1-yl]-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 42847963
2-(4-benzamidopiperidin-1-yl)-N-butan-2-ylbenzamide
CID 46037432
2-(4-benzamidopiperidin-1-yl)-N-[(1R)-1-phenylethyl]benzamide
CID 93290973
2-[4-[(3-fluorobenzoyl)amino]piperidin-1-yl]-N-[(1S)-1-phenylethyl]benzamide
CID 93324162
3-chloro-N-(1-propan-2-ylpiperidin-4-yl)benzamide
CID 25236690
N-cyclopropyl-2-[4-(2-methylpropanoylamino)piperidin-1-yl]benzamide
CID 42848047
N-(3-methylbutan-2-yl)-2-[4-(prop-2-enylcarbamoylamino)piperidin-1-yl]benzamide
CID 46038598

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3-chlorobenzoyl)amino]piperidin-1-yl]-N-[(2S)-3-methylbutan-2-yl]benzamide?
The IUPAC name of 2-[4-[(3-chlorobenzoyl)amino]piperidin-1-yl]-N-[(2S)-3-methylbutan-2-yl]benzamide (CID 93324060) is 2-[4-[(3-chlorobenzoyl)amino]piperidin-1-yl]-N-[(2S)-3-methylbutan-2-yl]benzamide.
What is the SMILES notation for 2-[4-[(3-chlorobenzoyl)amino]piperidin-1-yl]-N-[(2S)-3-methylbutan-2-yl]benzamide?
The canonical SMILES for 2-[4-[(3-chlorobenzoyl)amino]piperidin-1-yl]-N-[(2S)-3-methylbutan-2-yl]benzamide is CC(C)[C@H](C)NC(=O)c1ccccc1N1CCC(NC(=O)c2cccc(Cl)c2)CC1.
What is the InChIKey of 2-[4-[(3-chlorobenzoyl)amino]piperidin-1-yl]-N-[(2S)-3-methylbutan-2-yl]benzamide?
The InChIKey is HJAHWJLNOPRZFQ-KRWDZBQOSA-N. The full InChI is InChI=1S/C24H30ClN3O2/c1-16(2)17(3)26-24(30)21-9-4-5-10-22(21)28-13-11-20(12-14-28)27-23(29)18-7-6-8-19(25)15-18/h4-10,15-17,20H,11-14H2,1-3H3,(H,26,30)(H,27,29)/t17-/m0/s1.
What are the key properties of 2-[4-[(3-chlorobenzoyl)amino]piperidin-1-yl]-N-[(2S)-3-methylbutan-2-yl]benzamide?
2-[4-[(3-chlorobenzoyl)amino]piperidin-1-yl]-N-[(2S)-3-methylbutan-2-yl]benzamide has a molecular weight of 427.98 g/mol, XLogP of 4.51, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3-chlorobenzoyl)amino]piperidin-1-yl]-N-[(2S)-3-methylbutan-2-yl]benzamide is sourced from PubChem (CID 93324060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).