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

C20H32ClN3O2 — CID 120577941

IUPAC2-methyl-N-[4-methyl-1-[(2-methylpiperidin-3-yl)amino]-1-oxopentan-2-yl]benzamide;hydrochloride
SMILESCc1ccccc1C(=O)NC(CC(C)C)C(=O)NC1CCCNC1C.Cl
InChIInChI=1S/C20H31N3O2.ClH/c1-13(2)12-18(20(25)22-17-10-7-11-21-15(17)4)23-19(24)16-9-6-5-8-14(16)3;/h5-6,8-9,13,15,17-18,21H,7,10-12H2,1-4H3,(H,22,25)(H,23,24);1H
InChIKeyRMUHQHXDOUWOTP-UHFFFAOYSA-N
MW381.95 g/mol
LogP2.82
Rot. Bonds6

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

2-methyl-N-[4-methyl-1-[(2-methylpiperidin-3-yl)amino]-1-oxopentan-2-yl]benzamide;hydrochloride (PubChem CID 120577941) has the molecular formula C20H32ClN3O2 and a molecular weight of 381.95 g/mol. Its IUPAC name is 2-methyl-N-[4-methyl-1-[(2-methylpiperidin-3-yl)amino]-1-oxopentan-2-yl]benzamide;hydrochloride.

Molecular Properties

Compound Name2-methyl-N-[4-methyl-1-[(2-methylpiperidin-3-yl)amino]-1-oxopentan-2-yl]benzamide;hydrochloride
PubChem CID120577941
Molecular FormulaC20H32ClN3O2
Molecular Weight381.95 g/mol
Exact Mass381.22
IUPAC Name2-methyl-N-[4-methyl-1-[(2-methylpiperidin-3-yl)amino]-1-oxopentan-2-yl]benzamide;hydrochloride
SMILESCc1ccccc1C(=O)NC(CC(C)C)C(=O)NC1CCCNC1C.Cl
InChIInChI=1S/C20H31N3O2.ClH/c1-13(2)12-18(20(25)22-17-10-7-11-21-15(17)4)23-19(24)16-9-6-5-8-14(16)3;/h5-6,8-9,13,15,17-18,21H,7,10-12H2,1-4H3,(H,22,25)(H,23,24);1H
InChIKeyRMUHQHXDOUWOTP-UHFFFAOYSA-N
XLogP2.82
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.95
LogP ≤ 52.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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

cis-(1S,3R)-3-[[4-methyl-2-[(2-methylbenzoyl)amino]pentanoyl]amino]cyclopentane-1-carboxylic acid
CID 120676661
2-benzyl-N-(2-methylpiperidin-3-yl)benzamide;hydrochloride
CID 120573776
2-benzyl-N-(2-methylpiperidin-3-yl)benzamide
CID 120573777
2,3-dimethyl-N-(2-methylpiperidin-3-yl)benzamide
CID 79042389
4-(2-fluorophenyl)-2-methyl-N-(2-methylpiperidin-3-yl)butanamide;hydrochloride
CID 120576912
2-methyl-N-[4-methyl-1-oxo-1-(2-pyrrolidin-3-ylethylamino)pentan-2-yl]benzamide
CID 119536547
2-methyl-N-[(2R,3R)-2-methylpiperidin-3-yl]butanamide
CID 130763419
2-methyl-N-[4-methyl-1-(5-methylhexan-2-ylamino)-1-oxopentan-2-yl]benzamide
CID 112789345
2-methyl-N-(4-methyl-1-oxo-1-piperazin-1-ylpentan-2-yl)benzamide
CID 119402573
(3S)-3-[[(2S)-4-methyl-2-[(2-methylbenzoyl)amino]pentanoyl]amino]butanoic acid
CID 97072625
N-[1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide
CID 47101431
N-(2-methylpiperidin-3-yl)-2-phenylacetamide;hydrochloride
CID 120574528

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[4-methyl-1-[(2-methylpiperidin-3-yl)amino]-1-oxopentan-2-yl]benzamide;hydrochloride?
The IUPAC name of 2-methyl-N-[4-methyl-1-[(2-methylpiperidin-3-yl)amino]-1-oxopentan-2-yl]benzamide;hydrochloride (CID 120577941) is 2-methyl-N-[4-methyl-1-[(2-methylpiperidin-3-yl)amino]-1-oxopentan-2-yl]benzamide;hydrochloride.
What is the SMILES notation for 2-methyl-N-[4-methyl-1-[(2-methylpiperidin-3-yl)amino]-1-oxopentan-2-yl]benzamide;hydrochloride?
The canonical SMILES for 2-methyl-N-[4-methyl-1-[(2-methylpiperidin-3-yl)amino]-1-oxopentan-2-yl]benzamide;hydrochloride is Cc1ccccc1C(=O)NC(CC(C)C)C(=O)NC1CCCNC1C.Cl.
What is the InChIKey of 2-methyl-N-[4-methyl-1-[(2-methylpiperidin-3-yl)amino]-1-oxopentan-2-yl]benzamide;hydrochloride?
The InChIKey is RMUHQHXDOUWOTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O2.ClH/c1-13(2)12-18(20(25)22-17-10-7-11-21-15(17)4)23-19(24)16-9-6-5-8-14(16)3;/h5-6,8-9,13,15,17-18,21H,7,10-12H2,1-4H3,(H,22,25)(H,23,24);1H.
What are the key properties of 2-methyl-N-[4-methyl-1-[(2-methylpiperidin-3-yl)amino]-1-oxopentan-2-yl]benzamide;hydrochloride?
2-methyl-N-[4-methyl-1-[(2-methylpiperidin-3-yl)amino]-1-oxopentan-2-yl]benzamide;hydrochloride has a molecular weight of 381.95 g/mol, XLogP of 2.82, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[4-methyl-1-[(2-methylpiperidin-3-yl)amino]-1-oxopentan-2-yl]benzamide;hydrochloride is sourced from PubChem (CID 120577941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).