5-[[(2R)-2-chloropropanoyl]amino]-N-(3-ethoxypropyl)-2-(4-methylpiperidin-1-yl)benzamide

C21H32ClN3O3 — CID 7306724

IUPAC5-[[(2R)-2-chloropropanoyl]amino]-N-(3-ethoxypropyl)-2-(4-methylpiperidin-1-yl)benzamide
SMILESCCOCCCNC(=O)c1cc(NC(=O)[C@@H](C)Cl)ccc1N1CCC(C)CC1
InChIInChI=1S/C21H32ClN3O3/c1-4-28-13-5-10-23-21(27)18-14-17(24-20(26)16(3)22)6-7-19(18)25-11-8-15(2)9-12-25/h6-7,14-16H,4-5,8-13H2,1-3H3,(H,23,27)(H,24,26)/t16-/m1/s1
InChIKeyAKQFNNMMWGKATC-MRXNPFEDSA-N
MW409.96 g/mol
LogP3.65
Rot. Bonds9

About 5-[[(2R)-2-chloropropanoyl]amino]-N-(3-ethoxypropyl)-2-(4-methylpiperidin-1-yl)benzamide

5-[[(2R)-2-chloropropanoyl]amino]-N-(3-ethoxypropyl)-2-(4-methylpiperidin-1-yl)benzamide (PubChem CID 7306724) has the molecular formula C21H32ClN3O3 and a molecular weight of 409.96 g/mol. Its IUPAC name is 5-[[(2R)-2-chloropropanoyl]amino]-N-(3-ethoxypropyl)-2-(4-methylpiperidin-1-yl)benzamide.

Molecular Properties

Compound Name5-[[(2R)-2-chloropropanoyl]amino]-N-(3-ethoxypropyl)-2-(4-methylpiperidin-1-yl)benzamide
PubChem CID7306724
Molecular FormulaC21H32ClN3O3
Molecular Weight409.96 g/mol
Exact Mass409.21
IUPAC Name5-[[(2R)-2-chloropropanoyl]amino]-N-(3-ethoxypropyl)-2-(4-methylpiperidin-1-yl)benzamide
SMILESCCOCCCNC(=O)c1cc(NC(=O)[C@@H](C)Cl)ccc1N1CCC(C)CC1
InChIInChI=1S/C21H32ClN3O3/c1-4-28-13-5-10-23-21(27)18-14-17(24-20(26)16(3)22)6-7-19(18)25-11-8-15(2)9-12-25/h6-7,14-16H,4-5,8-13H2,1-3H3,(H,23,27)(H,24,26)/t16-/m1/s1
InChIKeyAKQFNNMMWGKATC-MRXNPFEDSA-N
XLogP3.65
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.96
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-[[(2R)-2-chloropropanoyl]amino]-N-(3-ethoxypropyl)-2-(4-methylpiperidin-1-yl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-ethoxypropyl)-2-(4-methylpiperidin-1-yl)-5-(propanoylamino)benzamide
CID 4027553
ethyl 2-[[3-(3-ethoxypropylcarbamoyl)-4-(4-methylpiperidin-1-yl)phenyl]carbamoylamino]acetate
CID 3470484
N-(3-ethoxypropyl)-5-[(4-methoxybenzoyl)amino]-2-(4-methylpiperidin-1-yl)benzamide
CID 3439444
N-(3-ethoxypropyl)-2-(4-methylpiperidin-1-yl)-5-(naphthalen-1-ylcarbamoylamino)benzamide
CID 42662115
2-(4-benzylpiperidin-1-yl)-N-(3-ethoxypropyl)-5-(2-methylpropanoylamino)benzamide
CID 3313553
N-benzyl-5-[[(2R)-2-chloropropanoyl]amino]-2-(4-methylpiperidin-1-yl)benzamide
CID 1064769
N-(3-methoxypropyl)-2-(4-methylpiperidin-1-yl)-5-(2-phenylbutanoylamino)benzamide
CID 3948470
5-(butylcarbamoylamino)-N-(3-methoxypropyl)-2-(4-methylpiperidin-1-yl)benzamide
CID 3631176
N-(3-ethoxypropyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-5-(2-methylpropanoylamino)benzamide
CID 3960007
5-[(2,2-dichloroacetyl)amino]-2-(4-methylpiperidin-1-yl)-N-(2-methylpropyl)benzamide
CID 1063125
N-(3-methoxypropyl)-2-(4-methylpiperidin-1-yl)-5-(pentanoylamino)benzamide
CID 4020156
5-[[(2S)-2-chloropropanoyl]amino]-2-(4-methylpiperidin-1-yl)-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 1066960

Frequently Asked Questions

What is the IUPAC name of 5-[[(2R)-2-chloropropanoyl]amino]-N-(3-ethoxypropyl)-2-(4-methylpiperidin-1-yl)benzamide?
The IUPAC name of 5-[[(2R)-2-chloropropanoyl]amino]-N-(3-ethoxypropyl)-2-(4-methylpiperidin-1-yl)benzamide (CID 7306724) is 5-[[(2R)-2-chloropropanoyl]amino]-N-(3-ethoxypropyl)-2-(4-methylpiperidin-1-yl)benzamide.
What is the SMILES notation for 5-[[(2R)-2-chloropropanoyl]amino]-N-(3-ethoxypropyl)-2-(4-methylpiperidin-1-yl)benzamide?
The canonical SMILES for 5-[[(2R)-2-chloropropanoyl]amino]-N-(3-ethoxypropyl)-2-(4-methylpiperidin-1-yl)benzamide is CCOCCCNC(=O)c1cc(NC(=O)[C@@H](C)Cl)ccc1N1CCC(C)CC1.
What is the InChIKey of 5-[[(2R)-2-chloropropanoyl]amino]-N-(3-ethoxypropyl)-2-(4-methylpiperidin-1-yl)benzamide?
The InChIKey is AKQFNNMMWGKATC-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H32ClN3O3/c1-4-28-13-5-10-23-21(27)18-14-17(24-20(26)16(3)22)6-7-19(18)25-11-8-15(2)9-12-25/h6-7,14-16H,4-5,8-13H2,1-3H3,(H,23,27)(H,24,26)/t16-/m1/s1.
What are the key properties of 5-[[(2R)-2-chloropropanoyl]amino]-N-(3-ethoxypropyl)-2-(4-methylpiperidin-1-yl)benzamide?
5-[[(2R)-2-chloropropanoyl]amino]-N-(3-ethoxypropyl)-2-(4-methylpiperidin-1-yl)benzamide has a molecular weight of 409.96 g/mol, XLogP of 3.65, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(2R)-2-chloropropanoyl]amino]-N-(3-ethoxypropyl)-2-(4-methylpiperidin-1-yl)benzamide is sourced from PubChem (CID 7306724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).