N-benzyl-5-[[(2R)-2-chloropropanoyl]amino]-2-(4-methylpiperidin-1-yl)benzamide

C23H28ClN3O2 — CID 1064769

IUPACN-benzyl-5-[[(2R)-2-chloropropanoyl]amino]-2-(4-methylpiperidin-1-yl)benzamide
SMILESCC1CCN(c2ccc(NC(=O)[C@@H](C)Cl)cc2C(=O)NCc2ccccc2)CC1
InChIInChI=1S/C23H28ClN3O2/c1-16-10-12-27(13-11-16)21-9-8-19(26-22(28)17(2)24)14-20(21)23(29)25-15-18-6-4-3-5-7-18/h3-9,14,16-17H,10-13,15H2,1-2H3,(H,25,29)(H,26,28)/t17-/m1/s1
InChIKeyHUHHMABYVGBZNR-QGZVFWFLSA-N
MW413.95 g/mol
LogP4.42
Rot. Bonds6

About N-benzyl-5-[[(2R)-2-chloropropanoyl]amino]-2-(4-methylpiperidin-1-yl)benzamide

N-benzyl-5-[[(2R)-2-chloropropanoyl]amino]-2-(4-methylpiperidin-1-yl)benzamide (PubChem CID 1064769) has the molecular formula C23H28ClN3O2 and a molecular weight of 413.95 g/mol. Its IUPAC name is N-benzyl-5-[[(2R)-2-chloropropanoyl]amino]-2-(4-methylpiperidin-1-yl)benzamide.

Molecular Properties

Compound NameN-benzyl-5-[[(2R)-2-chloropropanoyl]amino]-2-(4-methylpiperidin-1-yl)benzamide
PubChem CID1064769
Molecular FormulaC23H28ClN3O2
Molecular Weight413.95 g/mol
Exact Mass413.19
IUPAC NameN-benzyl-5-[[(2R)-2-chloropropanoyl]amino]-2-(4-methylpiperidin-1-yl)benzamide
SMILESCC1CCN(c2ccc(NC(=O)[C@@H](C)Cl)cc2C(=O)NCc2ccccc2)CC1
InChIInChI=1S/C23H28ClN3O2/c1-16-10-12-27(13-11-16)21-9-8-19(26-22(28)17(2)24)14-20(21)23(29)25-15-18-6-4-3-5-7-18/h3-9,14,16-17H,10-13,15H2,1-2H3,(H,25,29)(H,26,28)/t17-/m1/s1
InChIKeyHUHHMABYVGBZNR-QGZVFWFLSA-N
XLogP4.42
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.95
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

5-[[(2S)-2-chloropropanoyl]amino]-2-(4-methylpiperidin-1-yl)-N-[(1S)-1-phenylethyl]benzamide
CID 1063492
N-benzyl-5-[(3,4-dimethylphenyl)carbamoylamino]-2-(4-methylpiperidin-1-yl)benzamide
CID 42753386
2-(4-benzylpiperidin-1-yl)-5-[[(2S)-2-chloropropanoyl]amino]-N-(2-phenylethyl)benzamide
CID 92967321
2-(4-benzylpiperidin-1-yl)-5-[[(2R)-2-chloropropanoyl]amino]-N-(2-phenylethyl)benzamide
CID 92967322
N-benzyl-5-(2-methylpropanoylamino)-2-piperidin-1-ylbenzamide
CID 1065967
5-[[(2R)-2-chloropropanoyl]amino]-N-(3-ethoxypropyl)-2-(4-methylpiperidin-1-yl)benzamide
CID 7306724
5-[(2,2-dichloroacetyl)amino]-2-(4-methylpiperidin-1-yl)-N-(2-methylpropyl)benzamide
CID 1063125
5-[[(2S)-2-chloropropanoyl]amino]-2-(4-methylpiperidin-1-yl)-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 1066960
5-[(2-chloro-2-phenylacetyl)amino]-2-(4-methylpiperidin-1-yl)-N-propan-2-ylbenzamide
CID 5158041
N-benzyl-5-[[2-(4-chlorophenoxy)acetyl]amino]-2-(4-methylpiperidin-1-yl)benzamide
CID 3951976
N-benzyl-2-(4-methylpiperidin-1-yl)-5-[(2-thiophen-2-ylacetyl)amino]benzamide
CID 1064756
2-(4-benzylpiperidin-1-yl)-N-[(4-fluorophenyl)methyl]-5-(2-methylpropanoylamino)benzamide
CID 4587534

Frequently Asked Questions

What is the IUPAC name of N-benzyl-5-[[(2R)-2-chloropropanoyl]amino]-2-(4-methylpiperidin-1-yl)benzamide?
The IUPAC name of N-benzyl-5-[[(2R)-2-chloropropanoyl]amino]-2-(4-methylpiperidin-1-yl)benzamide (CID 1064769) is N-benzyl-5-[[(2R)-2-chloropropanoyl]amino]-2-(4-methylpiperidin-1-yl)benzamide.
What is the SMILES notation for N-benzyl-5-[[(2R)-2-chloropropanoyl]amino]-2-(4-methylpiperidin-1-yl)benzamide?
The canonical SMILES for N-benzyl-5-[[(2R)-2-chloropropanoyl]amino]-2-(4-methylpiperidin-1-yl)benzamide is CC1CCN(c2ccc(NC(=O)[C@@H](C)Cl)cc2C(=O)NCc2ccccc2)CC1.
What is the InChIKey of N-benzyl-5-[[(2R)-2-chloropropanoyl]amino]-2-(4-methylpiperidin-1-yl)benzamide?
The InChIKey is HUHHMABYVGBZNR-QGZVFWFLSA-N. The full InChI is InChI=1S/C23H28ClN3O2/c1-16-10-12-27(13-11-16)21-9-8-19(26-22(28)17(2)24)14-20(21)23(29)25-15-18-6-4-3-5-7-18/h3-9,14,16-17H,10-13,15H2,1-2H3,(H,25,29)(H,26,28)/t17-/m1/s1.
What are the key properties of N-benzyl-5-[[(2R)-2-chloropropanoyl]amino]-2-(4-methylpiperidin-1-yl)benzamide?
N-benzyl-5-[[(2R)-2-chloropropanoyl]amino]-2-(4-methylpiperidin-1-yl)benzamide has a molecular weight of 413.95 g/mol, XLogP of 4.42, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5-[[(2R)-2-chloropropanoyl]amino]-2-(4-methylpiperidin-1-yl)benzamide is sourced from PubChem (CID 1064769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).