4-chloro-N-[3-methyl-1-oxo-1-[(1-propylpiperidin-4-yl)amino]butan-2-yl]benzamide

C20H30ClN3O2 — CID 78809641

IUPAC4-chloro-N-[3-methyl-1-oxo-1-[(1-propylpiperidin-4-yl)amino]butan-2-yl]benzamide
SMILESCCCN1CCC(NC(=O)C(NC(=O)c2ccc(Cl)cc2)C(C)C)CC1
InChIInChI=1S/C20H30ClN3O2/c1-4-11-24-12-9-17(10-13-24)22-20(26)18(14(2)3)23-19(25)15-5-7-16(21)8-6-15/h5-8,14,17-18H,4,9-13H2,1-3H3,(H,22,26)(H,23,25)
InChIKeyMTFQUKOQFKGDMC-UHFFFAOYSA-N
MW379.93 g/mol
LogP3.09
Rot. Bonds7

About 4-chloro-N-[3-methyl-1-oxo-1-[(1-propylpiperidin-4-yl)amino]butan-2-yl]benzamide

4-chloro-N-[3-methyl-1-oxo-1-[(1-propylpiperidin-4-yl)amino]butan-2-yl]benzamide (PubChem CID 78809641) has the molecular formula C20H30ClN3O2 and a molecular weight of 379.93 g/mol. Its IUPAC name is 4-chloro-N-[3-methyl-1-oxo-1-[(1-propylpiperidin-4-yl)amino]butan-2-yl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[3-methyl-1-oxo-1-[(1-propylpiperidin-4-yl)amino]butan-2-yl]benzamide
PubChem CID78809641
Molecular FormulaC20H30ClN3O2
Molecular Weight379.93 g/mol
Exact Mass379.20
IUPAC Name4-chloro-N-[3-methyl-1-oxo-1-[(1-propylpiperidin-4-yl)amino]butan-2-yl]benzamide
SMILESCCCN1CCC(NC(=O)C(NC(=O)c2ccc(Cl)cc2)C(C)C)CC1
InChIInChI=1S/C20H30ClN3O2/c1-4-11-24-12-9-17(10-13-24)22-20(26)18(14(2)3)23-19(25)15-5-7-16(21)8-6-15/h5-8,14,17-18H,4,9-13H2,1-3H3,(H,22,26)(H,23,25)
InChIKeyMTFQUKOQFKGDMC-UHFFFAOYSA-N
XLogP3.09
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 ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-[3-methyl-1-oxo-1-[(1-propylpiperidin-4-yl)amino]pentan-2-yl]benzamide
CID 78809540
4-fluoro-N-[3-methyl-1-oxo-1-[(1-propylpiperidin-4-yl)amino]butan-2-yl]benzamide
CID 78810006
2,4-dichloro-N-[(2R)-1-[(1-ethylpiperidin-4-yl)amino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 42014895
N-[1-[[1-(2-amino-2-oxoethyl)piperidin-4-yl]amino]-3-methyl-1-oxopentan-2-yl]-4-chlorobenzamide
CID 134047768
4-chloro-N-[3-methyl-1-[3-(4-methylpiperidin-1-yl)propylamino]-1-oxobutan-2-yl]benzamide
CID 46523639
4-chloro-N-[3-methyl-1-oxo-1-(piperidin-3-ylamino)butan-2-yl]benzamide
CID 119428842
2,4-dichloro-N-[3-methyl-1-oxo-1-[(1-prop-2-enylpiperidin-4-yl)amino]butan-2-yl]benzamide
CID 86894333
4-chloro-N-[3-methyl-1-oxo-1-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]butan-2-yl]benzamide
CID 112799549
N-[(2R)-1-(cycloheptylamino)-3-methyl-1-oxobutan-2-yl]-4-ethoxybenzamide
CID 26918649
4-[[2-[(4-chlorobenzoyl)amino]-3-methylpentanoyl]amino]cyclohexane-1-carboxylic acid
CID 119229311
4-chloro-N-[3-methyl-1-oxo-1-(pyrrolidin-3-ylamino)pentan-2-yl]benzamide
CID 119449447
4-chloro-N-[3-methyl-1-oxo-1-(3-piperazin-1-ylpropylamino)butan-2-yl]benzamide;hydrochloride
CID 119394253

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[3-methyl-1-oxo-1-[(1-propylpiperidin-4-yl)amino]butan-2-yl]benzamide?
The IUPAC name of 4-chloro-N-[3-methyl-1-oxo-1-[(1-propylpiperidin-4-yl)amino]butan-2-yl]benzamide (CID 78809641) is 4-chloro-N-[3-methyl-1-oxo-1-[(1-propylpiperidin-4-yl)amino]butan-2-yl]benzamide.
What is the SMILES notation for 4-chloro-N-[3-methyl-1-oxo-1-[(1-propylpiperidin-4-yl)amino]butan-2-yl]benzamide?
The canonical SMILES for 4-chloro-N-[3-methyl-1-oxo-1-[(1-propylpiperidin-4-yl)amino]butan-2-yl]benzamide is CCCN1CCC(NC(=O)C(NC(=O)c2ccc(Cl)cc2)C(C)C)CC1.
What is the InChIKey of 4-chloro-N-[3-methyl-1-oxo-1-[(1-propylpiperidin-4-yl)amino]butan-2-yl]benzamide?
The InChIKey is MTFQUKOQFKGDMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30ClN3O2/c1-4-11-24-12-9-17(10-13-24)22-20(26)18(14(2)3)23-19(25)15-5-7-16(21)8-6-15/h5-8,14,17-18H,4,9-13H2,1-3H3,(H,22,26)(H,23,25).
What are the key properties of 4-chloro-N-[3-methyl-1-oxo-1-[(1-propylpiperidin-4-yl)amino]butan-2-yl]benzamide?
4-chloro-N-[3-methyl-1-oxo-1-[(1-propylpiperidin-4-yl)amino]butan-2-yl]benzamide has a molecular weight of 379.93 g/mol, XLogP of 3.09, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[3-methyl-1-oxo-1-[(1-propylpiperidin-4-yl)amino]butan-2-yl]benzamide is sourced from PubChem (CID 78809641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).