N-[1-[[1-(2-amino-2-oxoethyl)piperidin-4-yl]amino]-3-methyl-1-oxopentan-2-yl]-4-chlorobenzamide

C20H29ClN4O3 — CID 134047768

IUPACN-[1-[[1-(2-amino-2-oxoethyl)piperidin-4-yl]amino]-3-methyl-1-oxopentan-2-yl]-4-chlorobenzamide
SMILESCCC(C)C(NC(=O)c1ccc(Cl)cc1)C(=O)NC1CCN(CC(N)=O)CC1
InChIInChI=1S/C20H29ClN4O3/c1-3-13(2)18(24-19(27)14-4-6-15(21)7-5-14)20(28)23-16-8-10-25(11-9-16)12-17(22)26/h4-7,13,16,18H,3,8-12H2,1-2H3,(H2,22,26)(H,23,28)(H,24,27)
InChIKeyYAAOVEUDVFTNKQ-UHFFFAOYSA-N
MW408.93 g/mol
LogP1.55
Rot. Bonds8

About N-[1-[[1-(2-amino-2-oxoethyl)piperidin-4-yl]amino]-3-methyl-1-oxopentan-2-yl]-4-chlorobenzamide

N-[1-[[1-(2-amino-2-oxoethyl)piperidin-4-yl]amino]-3-methyl-1-oxopentan-2-yl]-4-chlorobenzamide (PubChem CID 134047768) has the molecular formula C20H29ClN4O3 and a molecular weight of 408.93 g/mol. Its IUPAC name is N-[1-[[1-(2-amino-2-oxoethyl)piperidin-4-yl]amino]-3-methyl-1-oxopentan-2-yl]-4-chlorobenzamide.

Molecular Properties

Compound NameN-[1-[[1-(2-amino-2-oxoethyl)piperidin-4-yl]amino]-3-methyl-1-oxopentan-2-yl]-4-chlorobenzamide
PubChem CID134047768
Molecular FormulaC20H29ClN4O3
Molecular Weight408.93 g/mol
Exact Mass408.19
IUPAC NameN-[1-[[1-(2-amino-2-oxoethyl)piperidin-4-yl]amino]-3-methyl-1-oxopentan-2-yl]-4-chlorobenzamide
SMILESCCC(C)C(NC(=O)c1ccc(Cl)cc1)C(=O)NC1CCN(CC(N)=O)CC1
InChIInChI=1S/C20H29ClN4O3/c1-3-13(2)18(24-19(27)14-4-6-15(21)7-5-14)20(28)23-16-8-10-25(11-9-16)12-17(22)26/h4-7,13,16,18H,3,8-12H2,1-2H3,(H2,22,26)(H,23,28)(H,24,27)
InChIKeyYAAOVEUDVFTNKQ-UHFFFAOYSA-N
XLogP1.55
TPSA104.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.93
LogP ≤ 51.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[1-[[1-(2-amino-2-oxoethyl)piperidin-4-yl]amino]-3-methyl-1-oxopentan-2-yl]-4-chlorobenzamide 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

4-chloro-N-[3-methyl-1-oxo-1-[(1-propylpiperidin-4-yl)amino]pentan-2-yl]benzamide
CID 78809540
N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-4-chlorobenzamide
CID 18133860
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-chloro-N-[3-methyl-1-oxo-1-[(1-propylpiperidin-4-yl)amino]butan-2-yl]benzamide
CID 78809641
4-chloro-N-[3-methyl-1-[4-(methylamino)piperidin-1-yl]-1-oxopentan-2-yl]benzamide;hydrochloride
CID 119559694
4-chloro-N-[3-methyl-1-[(2-methylpiperidin-4-yl)amino]-1-oxopentan-2-yl]benzamide
CID 120598886
N-[1-(4-aminopiperidin-1-yl)-3-methyl-1-oxopentan-2-yl]-4-chlorobenzamide
CID 119372812
(2-amino-2-oxoethyl) (2R,3R)-2-[(4-chlorobenzoyl)amino]-3-methylpentanoate
CID 2455107
N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-2-(4-chloro-2-methylphenoxy)propanamide
CID 46539519
2,4-dichloro-N-[(2R)-1-[(1-ethylpiperidin-4-yl)amino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 42014895
4-chloro-N-[3-methyl-1-[4-[2-(methylamino)-2-oxoethyl]piperazin-1-yl]-1-oxopentan-2-yl]benzamide
CID 60529436

Frequently Asked Questions

What is the IUPAC name of N-[1-[[1-(2-amino-2-oxoethyl)piperidin-4-yl]amino]-3-methyl-1-oxopentan-2-yl]-4-chlorobenzamide?
The IUPAC name of N-[1-[[1-(2-amino-2-oxoethyl)piperidin-4-yl]amino]-3-methyl-1-oxopentan-2-yl]-4-chlorobenzamide (CID 134047768) is N-[1-[[1-(2-amino-2-oxoethyl)piperidin-4-yl]amino]-3-methyl-1-oxopentan-2-yl]-4-chlorobenzamide.
What is the SMILES notation for N-[1-[[1-(2-amino-2-oxoethyl)piperidin-4-yl]amino]-3-methyl-1-oxopentan-2-yl]-4-chlorobenzamide?
The canonical SMILES for N-[1-[[1-(2-amino-2-oxoethyl)piperidin-4-yl]amino]-3-methyl-1-oxopentan-2-yl]-4-chlorobenzamide is CCC(C)C(NC(=O)c1ccc(Cl)cc1)C(=O)NC1CCN(CC(N)=O)CC1.
What is the InChIKey of N-[1-[[1-(2-amino-2-oxoethyl)piperidin-4-yl]amino]-3-methyl-1-oxopentan-2-yl]-4-chlorobenzamide?
The InChIKey is YAAOVEUDVFTNKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29ClN4O3/c1-3-13(2)18(24-19(27)14-4-6-15(21)7-5-14)20(28)23-16-8-10-25(11-9-16)12-17(22)26/h4-7,13,16,18H,3,8-12H2,1-2H3,(H2,22,26)(H,23,28)(H,24,27).
What are the key properties of N-[1-[[1-(2-amino-2-oxoethyl)piperidin-4-yl]amino]-3-methyl-1-oxopentan-2-yl]-4-chlorobenzamide?
N-[1-[[1-(2-amino-2-oxoethyl)piperidin-4-yl]amino]-3-methyl-1-oxopentan-2-yl]-4-chlorobenzamide has a molecular weight of 408.93 g/mol, XLogP of 1.55, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[1-(2-amino-2-oxoethyl)piperidin-4-yl]amino]-3-methyl-1-oxopentan-2-yl]-4-chlorobenzamide is sourced from PubChem (CID 134047768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).