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

C19H28ClN3O2 — CID 120598886

IUPAC4-chloro-N-[3-methyl-1-[(2-methylpiperidin-4-yl)amino]-1-oxopentan-2-yl]benzamide
SMILESCCC(C)C(NC(=O)c1ccc(Cl)cc1)C(=O)NC1CCNC(C)C1
InChIInChI=1S/C19H28ClN3O2/c1-4-12(2)17(19(25)22-16-9-10-21-13(3)11-16)23-18(24)14-5-7-15(20)8-6-14/h5-8,12-13,16-17,21H,4,9-11H2,1-3H3,(H,22,25)(H,23,24)
InChIKeyFWWSQLHFVSHQIH-UHFFFAOYSA-N
MW365.91 g/mol
LogP2.74
Rot. Bonds6

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

4-chloro-N-[3-methyl-1-[(2-methylpiperidin-4-yl)amino]-1-oxopentan-2-yl]benzamide (PubChem CID 120598886) has the molecular formula C19H28ClN3O2 and a molecular weight of 365.91 g/mol. Its IUPAC name is 4-chloro-N-[3-methyl-1-[(2-methylpiperidin-4-yl)amino]-1-oxopentan-2-yl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[3-methyl-1-[(2-methylpiperidin-4-yl)amino]-1-oxopentan-2-yl]benzamide
PubChem CID120598886
Molecular FormulaC19H28ClN3O2
Molecular Weight365.91 g/mol
Exact Mass365.19
IUPAC Name4-chloro-N-[3-methyl-1-[(2-methylpiperidin-4-yl)amino]-1-oxopentan-2-yl]benzamide
SMILESCCC(C)C(NC(=O)c1ccc(Cl)cc1)C(=O)NC1CCNC(C)C1
InChIInChI=1S/C19H28ClN3O2/c1-4-12(2)17(19(25)22-16-9-10-21-13(3)11-16)23-18(24)14-5-7-15(20)8-6-14/h5-8,12-13,16-17,21H,4,9-11H2,1-3H3,(H,22,25)(H,23,24)
InChIKeyFWWSQLHFVSHQIH-UHFFFAOYSA-N
XLogP2.74
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.91
LogP ≤ 52.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-[3-methyl-1-oxo-1-(pyrrolidin-3-ylamino)pentan-2-yl]benzamide
CID 119449447
4-[[2-[(4-chlorobenzoyl)amino]-3-methylpentanoyl]amino]cyclohexane-1-carboxylic acid
CID 119229311
4-ethoxy-N-[3-methyl-1-[(2-methylpiperidin-4-yl)amino]-1-oxobutan-2-yl]benzamide;hydrochloride
CID 120600670
4-chloro-N-[3-methyl-1-oxo-1-[(1-propylpiperidin-4-yl)amino]pentan-2-yl]benzamide
CID 78809540
N-[1-[[1-(2-amino-2-oxoethyl)piperidin-4-yl]amino]-3-methyl-1-oxopentan-2-yl]-4-chlorobenzamide
CID 134047768
(2R,3S)-2-[(4-chlorobenzoyl)amino]-3-methylpentanoic acid
CID 2363261
4-chloro-N-[3-methyl-1-oxo-1-(2-piperidin-3-ylethylamino)pentan-2-yl]benzamide
CID 119554960
(2R,3S)-2-[(4-chlorobenzoyl)amino]-3-methylpentanoate
CID 2363260
2-[[2-[(4-chlorobenzoyl)amino]-3-methylpentanoyl]amino]acetic acid
CID 119171288
4-chloro-N-[3-methyl-1-[4-(methylamino)piperidin-1-yl]-1-oxopentan-2-yl]benzamide;hydrochloride
CID 119559694
4-chloro-N-[1-[2-(ethylamino)ethylamino]-3-methyl-1-oxopentan-2-yl]benzamide
CID 119504568
N-[(2S,3S)-1-(cycloheptylamino)-3-methyl-1-oxopentan-2-yl]benzamide
CID 7613190

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[3-methyl-1-[(2-methylpiperidin-4-yl)amino]-1-oxopentan-2-yl]benzamide?
The IUPAC name of 4-chloro-N-[3-methyl-1-[(2-methylpiperidin-4-yl)amino]-1-oxopentan-2-yl]benzamide (CID 120598886) is 4-chloro-N-[3-methyl-1-[(2-methylpiperidin-4-yl)amino]-1-oxopentan-2-yl]benzamide.
What is the SMILES notation for 4-chloro-N-[3-methyl-1-[(2-methylpiperidin-4-yl)amino]-1-oxopentan-2-yl]benzamide?
The canonical SMILES for 4-chloro-N-[3-methyl-1-[(2-methylpiperidin-4-yl)amino]-1-oxopentan-2-yl]benzamide is CCC(C)C(NC(=O)c1ccc(Cl)cc1)C(=O)NC1CCNC(C)C1.
What is the InChIKey of 4-chloro-N-[3-methyl-1-[(2-methylpiperidin-4-yl)amino]-1-oxopentan-2-yl]benzamide?
The InChIKey is FWWSQLHFVSHQIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28ClN3O2/c1-4-12(2)17(19(25)22-16-9-10-21-13(3)11-16)23-18(24)14-5-7-15(20)8-6-14/h5-8,12-13,16-17,21H,4,9-11H2,1-3H3,(H,22,25)(H,23,24).
What are the key properties of 4-chloro-N-[3-methyl-1-[(2-methylpiperidin-4-yl)amino]-1-oxopentan-2-yl]benzamide?
4-chloro-N-[3-methyl-1-[(2-methylpiperidin-4-yl)amino]-1-oxopentan-2-yl]benzamide has a molecular weight of 365.91 g/mol, XLogP of 2.74, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[3-methyl-1-[(2-methylpiperidin-4-yl)amino]-1-oxopentan-2-yl]benzamide is sourced from PubChem (CID 120598886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).