N'-(3-methylpiperidin-4-yl)-N-propylbutanediamide;hydrochloride

C13H26ClN3O2 — CID 120557551

IUPACN'-(3-methylpiperidin-4-yl)-N-propylbutanediamide;hydrochloride
SMILESCCCNC(=O)CCC(=O)NC1CCNCC1C.Cl
InChIInChI=1S/C13H25N3O2.ClH/c1-3-7-15-12(17)4-5-13(18)16-11-6-8-14-9-10(11)2;/h10-11,14H,3-9H2,1-2H3,(H,15,17)(H,16,18);1H
InChIKeyFWOQEEZCJPKJEQ-UHFFFAOYSA-N
MW291.82 g/mol
LogP0.83
Rot. Bonds6

About N'-(3-methylpiperidin-4-yl)-N-propylbutanediamide;hydrochloride

N'-(3-methylpiperidin-4-yl)-N-propylbutanediamide;hydrochloride (PubChem CID 120557551) has the molecular formula C13H26ClN3O2 and a molecular weight of 291.82 g/mol. Its IUPAC name is N'-(3-methylpiperidin-4-yl)-N-propylbutanediamide;hydrochloride.

Molecular Properties

Compound NameN'-(3-methylpiperidin-4-yl)-N-propylbutanediamide;hydrochloride
PubChem CID120557551
Molecular FormulaC13H26ClN3O2
Molecular Weight291.82 g/mol
Exact Mass291.17
IUPAC NameN'-(3-methylpiperidin-4-yl)-N-propylbutanediamide;hydrochloride
SMILESCCCNC(=O)CCC(=O)NC1CCNCC1C.Cl
InChIInChI=1S/C13H25N3O2.ClH/c1-3-7-15-12(17)4-5-13(18)16-11-6-8-14-9-10(11)2;/h10-11,14H,3-9H2,1-2H3,(H,15,17)(H,16,18);1H
InChIKeyFWOQEEZCJPKJEQ-UHFFFAOYSA-N
XLogP0.83
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.82
LogP ≤ 50.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N'-(3-methylpiperidin-4-yl)-N-propylbutanediamide;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-methylpiperidin-4-yl)-N-propylpentanediamide
CID 120554463
N-(3-methylpiperidin-4-yl)decanamide
CID 79886452
N'-methyl-N-propyl-N'-pyrrolidin-3-ylbutanediamide;hydrochloride
CID 119553575
2-(diethylamino)-N-(3-methylpiperidin-4-yl)acetamide;dihydrochloride
CID 120553416
3-cyclopentyl-N-[2-[(3-methylpiperidin-4-yl)amino]-2-oxoethyl]propanamide;hydrochloride
CID 120554749
N-(3-methylpiperidin-4-yl)-N',N'-dipropylpentanediamide
CID 120557827
4-(4-ethylphenyl)-N-(3-methylpiperidin-4-yl)-4-oxobutanamide;hydrochloride
CID 120555617
2,2-dimethyl-N-[2-[(3-methylpiperidin-4-yl)amino]-2-oxoethyl]propanamide;hydrochloride
CID 120554584
N-(3-methylpiperidin-4-yl)-4-oxo-4-(4-pentylphenyl)butanamide;hydrochloride
CID 120553973
N-(3-methylpiperidin-4-yl)-4-prop-2-enoxybutanamide;hydrochloride
CID 120556581
N'-(piperidin-3-ylmethyl)-N-propylbutanediamide;hydrochloride
CID 119463444
4-fluoro-N-[4-[(3-methylpiperidin-4-yl)amino]-4-oxobutyl]benzamide;hydrochloride
CID 120554428

Frequently Asked Questions

What is the IUPAC name of N'-(3-methylpiperidin-4-yl)-N-propylbutanediamide;hydrochloride?
The IUPAC name of N'-(3-methylpiperidin-4-yl)-N-propylbutanediamide;hydrochloride (CID 120557551) is N'-(3-methylpiperidin-4-yl)-N-propylbutanediamide;hydrochloride.
What is the SMILES notation for N'-(3-methylpiperidin-4-yl)-N-propylbutanediamide;hydrochloride?
The canonical SMILES for N'-(3-methylpiperidin-4-yl)-N-propylbutanediamide;hydrochloride is CCCNC(=O)CCC(=O)NC1CCNCC1C.Cl.
What is the InChIKey of N'-(3-methylpiperidin-4-yl)-N-propylbutanediamide;hydrochloride?
The InChIKey is FWOQEEZCJPKJEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2.ClH/c1-3-7-15-12(17)4-5-13(18)16-11-6-8-14-9-10(11)2;/h10-11,14H,3-9H2,1-2H3,(H,15,17)(H,16,18);1H.
What are the key properties of N'-(3-methylpiperidin-4-yl)-N-propylbutanediamide;hydrochloride?
N'-(3-methylpiperidin-4-yl)-N-propylbutanediamide;hydrochloride has a molecular weight of 291.82 g/mol, XLogP of 0.83, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-methylpiperidin-4-yl)-N-propylbutanediamide;hydrochloride is sourced from PubChem (CID 120557551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).