2-chloro-N-[3-[4-(4-methylpiperidin-1-yl)anilino]-3-oxopropyl]benzamide

C22H26ClN3O2 — CID 9033716

IUPAC2-chloro-N-[3-[4-(4-methylpiperidin-1-yl)anilino]-3-oxopropyl]benzamide
SMILESCC1CCN(c2ccc(NC(=O)CCNC(=O)c3ccccc3Cl)cc2)CC1
InChIInChI=1S/C22H26ClN3O2/c1-16-11-14-26(15-12-16)18-8-6-17(7-9-18)25-21(27)10-13-24-22(28)19-4-2-3-5-20(19)23/h2-9,16H,10-15H2,1H3,(H,24,28)(H,25,27)
InChIKeyGBVWRZBKCDDCMO-UHFFFAOYSA-N
MW399.92 g/mol
LogP4.33
Rot. Bonds6

About 2-chloro-N-[3-[4-(4-methylpiperidin-1-yl)anilino]-3-oxopropyl]benzamide

2-chloro-N-[3-[4-(4-methylpiperidin-1-yl)anilino]-3-oxopropyl]benzamide (PubChem CID 9033716) has the molecular formula C22H26ClN3O2 and a molecular weight of 399.92 g/mol. Its IUPAC name is 2-chloro-N-[3-[4-(4-methylpiperidin-1-yl)anilino]-3-oxopropyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[3-[4-(4-methylpiperidin-1-yl)anilino]-3-oxopropyl]benzamide
PubChem CID9033716
Molecular FormulaC22H26ClN3O2
Molecular Weight399.92 g/mol
Exact Mass399.17
IUPAC Name2-chloro-N-[3-[4-(4-methylpiperidin-1-yl)anilino]-3-oxopropyl]benzamide
SMILESCC1CCN(c2ccc(NC(=O)CCNC(=O)c3ccccc3Cl)cc2)CC1
InChIInChI=1S/C22H26ClN3O2/c1-16-11-14-26(15-12-16)18-8-6-17(7-9-18)25-21(27)10-13-24-22(28)19-4-2-3-5-20(19)23/h2-9,16H,10-15H2,1H3,(H,24,28)(H,25,27)
InChIKeyGBVWRZBKCDDCMO-UHFFFAOYSA-N
XLogP4.33
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.92
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-[3-(4-morpholin-4-ylanilino)-3-oxopropyl]benzamide
CID 7409258
methyl 2-[[3-[4-(4-methylpiperidin-1-yl)anilino]-3-oxopropyl]amino]benzoate
CID 109041342
1-[2-(2-chlorophenoxy)ethyl]-3-[4-(4-methylpiperidin-1-yl)phenyl]urea
CID 112970683
5-chloro-N-[4-(4-methylpiperidin-1-yl)phenyl]pentanamide
CID 43346973
[2-[4-(4-methylpiperidin-1-yl)anilino]-2-oxoethyl] 2-chloro-6-fluorobenzoate
CID 9007300
N-[4-[4-(4-methylpiperidin-1-yl)anilino]-4-oxobutyl]furan-2-carboxamide
CID 55389157
2-chloro-N-[3-(4-morpholin-4-ylsulfonylanilino)-3-oxopropyl]benzamide
CID 4856622
3-(3-methylbutylamino)-N-[4-(4-methylpiperidin-1-yl)phenyl]propanamide
CID 109032069
2-bromo-5-fluoro-N-[3-[4-(3-methylpyrrolidin-1-yl)anilino]-3-oxopropyl]benzamide
CID 56556179
N-(4-methoxyphenyl)-3-[4-(4-methylpiperidin-1-yl)anilino]propanamide
CID 109039631
2-chloro-4-methyl-N-[4-(4-methylpiperidin-1-yl)phenyl]benzamide
CID 21229733
2-chloro-N-[(1S)-1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]benzamide
CID 99994165

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[3-[4-(4-methylpiperidin-1-yl)anilino]-3-oxopropyl]benzamide?
The IUPAC name of 2-chloro-N-[3-[4-(4-methylpiperidin-1-yl)anilino]-3-oxopropyl]benzamide (CID 9033716) is 2-chloro-N-[3-[4-(4-methylpiperidin-1-yl)anilino]-3-oxopropyl]benzamide.
What is the SMILES notation for 2-chloro-N-[3-[4-(4-methylpiperidin-1-yl)anilino]-3-oxopropyl]benzamide?
The canonical SMILES for 2-chloro-N-[3-[4-(4-methylpiperidin-1-yl)anilino]-3-oxopropyl]benzamide is CC1CCN(c2ccc(NC(=O)CCNC(=O)c3ccccc3Cl)cc2)CC1.
What is the InChIKey of 2-chloro-N-[3-[4-(4-methylpiperidin-1-yl)anilino]-3-oxopropyl]benzamide?
The InChIKey is GBVWRZBKCDDCMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26ClN3O2/c1-16-11-14-26(15-12-16)18-8-6-17(7-9-18)25-21(27)10-13-24-22(28)19-4-2-3-5-20(19)23/h2-9,16H,10-15H2,1H3,(H,24,28)(H,25,27).
What are the key properties of 2-chloro-N-[3-[4-(4-methylpiperidin-1-yl)anilino]-3-oxopropyl]benzamide?
2-chloro-N-[3-[4-(4-methylpiperidin-1-yl)anilino]-3-oxopropyl]benzamide has a molecular weight of 399.92 g/mol, XLogP of 4.33, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[3-[4-(4-methylpiperidin-1-yl)anilino]-3-oxopropyl]benzamide is sourced from PubChem (CID 9033716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).