N-butan-2-yl-3-[(3-piperidin-4-ylbutanoylamino)methyl]benzamide;hydrochloride

C21H34ClN3O2 — CID 119719754

IUPACN-butan-2-yl-3-[(3-piperidin-4-ylbutanoylamino)methyl]benzamide;hydrochloride
SMILESCCC(C)NC(=O)c1cccc(CNC(=O)CC(C)C2CCNCC2)c1.Cl
InChIInChI=1S/C21H33N3O2.ClH/c1-4-16(3)24-21(26)19-7-5-6-17(13-19)14-23-20(25)12-15(2)18-8-10-22-11-9-18;/h5-7,13,15-16,18,22H,4,8-12,14H2,1-3H3,(H,23,25)(H,24,26);1H
InChIKeyGYTOLFKXBPRRNG-UHFFFAOYSA-N
MW395.98 g/mol
LogP3.28
Rot. Bonds8

About N-butan-2-yl-3-[(3-piperidin-4-ylbutanoylamino)methyl]benzamide;hydrochloride

N-butan-2-yl-3-[(3-piperidin-4-ylbutanoylamino)methyl]benzamide;hydrochloride (PubChem CID 119719754) has the molecular formula C21H34ClN3O2 and a molecular weight of 395.98 g/mol. Its IUPAC name is N-butan-2-yl-3-[(3-piperidin-4-ylbutanoylamino)methyl]benzamide;hydrochloride.

Molecular Properties

Compound NameN-butan-2-yl-3-[(3-piperidin-4-ylbutanoylamino)methyl]benzamide;hydrochloride
PubChem CID119719754
Molecular FormulaC21H34ClN3O2
Molecular Weight395.98 g/mol
Exact Mass395.23
IUPAC NameN-butan-2-yl-3-[(3-piperidin-4-ylbutanoylamino)methyl]benzamide;hydrochloride
SMILESCCC(C)NC(=O)c1cccc(CNC(=O)CC(C)C2CCNCC2)c1.Cl
InChIInChI=1S/C21H33N3O2.ClH/c1-4-16(3)24-21(26)19-7-5-6-17(13-19)14-23-20(25)12-15(2)18-8-10-22-11-9-18;/h5-7,13,15-16,18,22H,4,8-12,14H2,1-3H3,(H,23,25)(H,24,26);1H
InChIKeyGYTOLFKXBPRRNG-UHFFFAOYSA-N
XLogP3.28
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.98
LogP ≤ 53.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-butan-2-yl-3-[(3-piperidin-4-ylbutanoylamino)methyl]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

N-[(3-ethoxyphenyl)methyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119714483
N-(naphthalen-2-ylmethyl)-3-piperidin-4-ylbutanamide;hydrochloride
CID 119715963
3-[(3-aminopropanoylamino)methyl]-N-butan-2-ylbenzamide
CID 119287321
N-[[3-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-3-piperidin-4-ylbutanamide
CID 119867437
3-[[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]methyl]-N-butan-2-ylbenzamide
CID 119719747
N-[[3-(2-methylpropoxy)phenyl]methyl]-3-piperidin-4-ylbutanamide
CID 119751165
3-[(4-aminopentanoylamino)methyl]-N-butan-2-ylbenzamide;hydrochloride
CID 120560222
3-[(3-piperidin-3-ylbutanoylamino)methyl]-N-propylbenzamide
CID 119719799
N-[(2S)-butan-2-yl]-3-[[[(2S)-2-methylbutanoyl]amino]methyl]benzamide
CID 94180645
N-butan-2-yl-3-[(3-phenylpropanoylamino)methyl]benzamide
CID 47043715
3-[[[(2R)-2-aminopropanoyl]amino]methyl]-N-butan-2-ylbenzamide;hydrochloride
CID 119287336
N-butan-2-yl-3-piperidin-4-ylbutanamide
CID 119669606

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-3-[(3-piperidin-4-ylbutanoylamino)methyl]benzamide;hydrochloride?
The IUPAC name of N-butan-2-yl-3-[(3-piperidin-4-ylbutanoylamino)methyl]benzamide;hydrochloride (CID 119719754) is N-butan-2-yl-3-[(3-piperidin-4-ylbutanoylamino)methyl]benzamide;hydrochloride.
What is the SMILES notation for N-butan-2-yl-3-[(3-piperidin-4-ylbutanoylamino)methyl]benzamide;hydrochloride?
The canonical SMILES for N-butan-2-yl-3-[(3-piperidin-4-ylbutanoylamino)methyl]benzamide;hydrochloride is CCC(C)NC(=O)c1cccc(CNC(=O)CC(C)C2CCNCC2)c1.Cl.
What is the InChIKey of N-butan-2-yl-3-[(3-piperidin-4-ylbutanoylamino)methyl]benzamide;hydrochloride?
The InChIKey is GYTOLFKXBPRRNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N3O2.ClH/c1-4-16(3)24-21(26)19-7-5-6-17(13-19)14-23-20(25)12-15(2)18-8-10-22-11-9-18;/h5-7,13,15-16,18,22H,4,8-12,14H2,1-3H3,(H,23,25)(H,24,26);1H.
What are the key properties of N-butan-2-yl-3-[(3-piperidin-4-ylbutanoylamino)methyl]benzamide;hydrochloride?
N-butan-2-yl-3-[(3-piperidin-4-ylbutanoylamino)methyl]benzamide;hydrochloride has a molecular weight of 395.98 g/mol, XLogP of 3.28, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-3-[(3-piperidin-4-ylbutanoylamino)methyl]benzamide;hydrochloride is sourced from PubChem (CID 119719754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).