2-chloro-N-[2-[[3-methyl-2-(4-methylpiperidin-1-yl)butyl]amino]-2-oxoethyl]benzamide

C20H30ClN3O2 — CID 55658916

IUPAC2-chloro-N-[2-[[3-methyl-2-(4-methylpiperidin-1-yl)butyl]amino]-2-oxoethyl]benzamide
SMILESCC1CCN(C(CNC(=O)CNC(=O)c2ccccc2Cl)C(C)C)CC1
InChIInChI=1S/C20H30ClN3O2/c1-14(2)18(24-10-8-15(3)9-11-24)12-22-19(25)13-23-20(26)16-6-4-5-7-17(16)21/h4-7,14-15,18H,8-13H2,1-3H3,(H,22,25)(H,23,26)
InChIKeyQZDKLHRKOBDIRG-UHFFFAOYSA-N
MW379.93 g/mol
LogP2.94
Rot. Bonds7

About 2-chloro-N-[2-[[3-methyl-2-(4-methylpiperidin-1-yl)butyl]amino]-2-oxoethyl]benzamide

2-chloro-N-[2-[[3-methyl-2-(4-methylpiperidin-1-yl)butyl]amino]-2-oxoethyl]benzamide (PubChem CID 55658916) has the molecular formula C20H30ClN3O2 and a molecular weight of 379.93 g/mol. Its IUPAC name is 2-chloro-N-[2-[[3-methyl-2-(4-methylpiperidin-1-yl)butyl]amino]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[2-[[3-methyl-2-(4-methylpiperidin-1-yl)butyl]amino]-2-oxoethyl]benzamide
PubChem CID55658916
Molecular FormulaC20H30ClN3O2
Molecular Weight379.93 g/mol
Exact Mass379.20
IUPAC Name2-chloro-N-[2-[[3-methyl-2-(4-methylpiperidin-1-yl)butyl]amino]-2-oxoethyl]benzamide
SMILESCC1CCN(C(CNC(=O)CNC(=O)c2ccccc2Cl)C(C)C)CC1
InChIInChI=1S/C20H30ClN3O2/c1-14(2)18(24-10-8-15(3)9-11-24)12-22-19(25)13-23-20(26)16-6-4-5-7-17(16)21/h4-7,14-15,18H,8-13H2,1-3H3,(H,22,25)(H,23,26)
InChIKeyQZDKLHRKOBDIRG-UHFFFAOYSA-N
XLogP2.94
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.93
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-hydroxy-N-[(2R)-3-methyl-2-(4-methylpiperidin-1-yl)butyl]benzamide
CID 39111251
2-amino-N-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]benzamide
CID 119946551
4-(2-chlorophenyl)-N-[2-(4-methylpiperidin-1-yl)propyl]-4-oxobutanamide
CID 110620731
2-(4-aminophenyl)-N-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]acetamide;dihydrochloride
CID 119849811
N-[(2S)-3-methyl-2-(4-methylpiperidin-1-yl)butyl]-2-(2-nitrophenyl)acetamide
CID 51941754
2-amino-N-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]acetamide
CID 119849844
4-chloro-N-[4-[[3-methyl-2-(4-methylpiperidin-1-yl)butyl]amino]-4-oxobutyl]benzamide
CID 55657950
3-amino-N-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]benzamide
CID 119849842
2-(2,6-dichlorophenyl)-N-(3-methyl-2-morpholin-4-ylbutyl)acetamide
CID 55520442
2-chloro-N-[2-[[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]amino]-2-oxoethyl]benzamide
CID 7972625
2-chloro-N-[2-[[(2S)-3-ethyl-2-hydroxypentyl]amino]-2-oxoethyl]benzamide
CID 95622425
2-chloro-N-[1-[[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]amino]-1-oxopropan-2-yl]benzamide
CID 55337540

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-[[3-methyl-2-(4-methylpiperidin-1-yl)butyl]amino]-2-oxoethyl]benzamide?
The IUPAC name of 2-chloro-N-[2-[[3-methyl-2-(4-methylpiperidin-1-yl)butyl]amino]-2-oxoethyl]benzamide (CID 55658916) is 2-chloro-N-[2-[[3-methyl-2-(4-methylpiperidin-1-yl)butyl]amino]-2-oxoethyl]benzamide.
What is the SMILES notation for 2-chloro-N-[2-[[3-methyl-2-(4-methylpiperidin-1-yl)butyl]amino]-2-oxoethyl]benzamide?
The canonical SMILES for 2-chloro-N-[2-[[3-methyl-2-(4-methylpiperidin-1-yl)butyl]amino]-2-oxoethyl]benzamide is CC1CCN(C(CNC(=O)CNC(=O)c2ccccc2Cl)C(C)C)CC1.
What is the InChIKey of 2-chloro-N-[2-[[3-methyl-2-(4-methylpiperidin-1-yl)butyl]amino]-2-oxoethyl]benzamide?
The InChIKey is QZDKLHRKOBDIRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30ClN3O2/c1-14(2)18(24-10-8-15(3)9-11-24)12-22-19(25)13-23-20(26)16-6-4-5-7-17(16)21/h4-7,14-15,18H,8-13H2,1-3H3,(H,22,25)(H,23,26).
What are the key properties of 2-chloro-N-[2-[[3-methyl-2-(4-methylpiperidin-1-yl)butyl]amino]-2-oxoethyl]benzamide?
2-chloro-N-[2-[[3-methyl-2-(4-methylpiperidin-1-yl)butyl]amino]-2-oxoethyl]benzamide has a molecular weight of 379.93 g/mol, XLogP of 2.94, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-[[3-methyl-2-(4-methylpiperidin-1-yl)butyl]amino]-2-oxoethyl]benzamide is sourced from PubChem (CID 55658916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).