N'-(piperidin-3-ylmethyl)-N-propylbutanediamide;hydrochloride

C13H26ClN3O2 — CID 119463444

IUPACN'-(piperidin-3-ylmethyl)-N-propylbutanediamide;hydrochloride
SMILESCCCNC(=O)CCC(=O)NCC1CCCNC1.Cl
InChIInChI=1S/C13H25N3O2.ClH/c1-2-7-15-12(17)5-6-13(18)16-10-11-4-3-8-14-9-11;/h11,14H,2-10H2,1H3,(H,15,17)(H,16,18);1H
InChIKeyWDRCXXGNCCYXAL-UHFFFAOYSA-N
MW291.82 g/mol
LogP0.83
Rot. Bonds7

About N'-(piperidin-3-ylmethyl)-N-propylbutanediamide;hydrochloride

N'-(piperidin-3-ylmethyl)-N-propylbutanediamide;hydrochloride (PubChem CID 119463444) has the molecular formula C13H26ClN3O2 and a molecular weight of 291.82 g/mol. Its IUPAC name is N'-(piperidin-3-ylmethyl)-N-propylbutanediamide;hydrochloride.

Molecular Properties

Compound NameN'-(piperidin-3-ylmethyl)-N-propylbutanediamide;hydrochloride
PubChem CID119463444
Molecular FormulaC13H26ClN3O2
Molecular Weight291.82 g/mol
Exact Mass291.17
IUPAC NameN'-(piperidin-3-ylmethyl)-N-propylbutanediamide;hydrochloride
SMILESCCCNC(=O)CCC(=O)NCC1CCCNC1.Cl
InChIInChI=1S/C13H25N3O2.ClH/c1-2-7-15-12(17)5-6-13(18)16-10-11-4-3-8-14-9-11;/h11,14H,2-10H2,1H3,(H,15,17)(H,16,18);1H
InChIKeyWDRCXXGNCCYXAL-UHFFFAOYSA-N
XLogP0.83
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
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

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Related Compounds

N'-(piperidin-3-ylmethyl)-N-propylbutanediamide
CID 119463445
2-(diethylamino)-N-(piperidin-3-ylmethyl)acetamide;dihydrochloride
CID 119460245
2-methylsulfanyl-N-(piperidin-3-ylmethyl)acetamide;hydrochloride
CID 119462298
2,2-dimethyl-N-[2-oxo-2-(piperidin-3-ylmethylamino)ethyl]propanamide;hydrochloride
CID 119462428
4-(4-methylphenyl)-4-oxo-N-(piperidin-3-ylmethyl)butanamide;hydrochloride
CID 119462344
2-ethyl-N-(piperidin-3-ylmethyl)butanamide;hydrochloride
CID 119462909
5,5-dimethyl-N-(2-piperidin-3-ylethyl)hexanamide;hydrochloride
CID 119559479
3-methoxy-N-(2-piperidin-3-ylethyl)propanamide;hydrochloride
CID 119555798
3-(4-methylpentan-2-yloxy)-N-(piperidin-3-ylmethyl)propanamide;hydrochloride
CID 119464085
4-(4-fluorophenyl)-4-oxo-N-(piperidin-3-ylmethyl)butanamide;hydrochloride
CID 119462905
N-(pyrrolidin-3-ylmethyl)dodecanamide
CID 80564166
N-(piperidin-3-ylmethyl)-3-pyrazol-1-ylpropanamide;dihydrochloride
CID 119461176

Frequently Asked Questions

What is the IUPAC name of N'-(piperidin-3-ylmethyl)-N-propylbutanediamide;hydrochloride?
The IUPAC name of N'-(piperidin-3-ylmethyl)-N-propylbutanediamide;hydrochloride (CID 119463444) is N'-(piperidin-3-ylmethyl)-N-propylbutanediamide;hydrochloride.
What is the SMILES notation for N'-(piperidin-3-ylmethyl)-N-propylbutanediamide;hydrochloride?
The canonical SMILES for N'-(piperidin-3-ylmethyl)-N-propylbutanediamide;hydrochloride is CCCNC(=O)CCC(=O)NCC1CCCNC1.Cl.
What is the InChIKey of N'-(piperidin-3-ylmethyl)-N-propylbutanediamide;hydrochloride?
The InChIKey is WDRCXXGNCCYXAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2.ClH/c1-2-7-15-12(17)5-6-13(18)16-10-11-4-3-8-14-9-11;/h11,14H,2-10H2,1H3,(H,15,17)(H,16,18);1H.
What are the key properties of N'-(piperidin-3-ylmethyl)-N-propylbutanediamide;hydrochloride?
N'-(piperidin-3-ylmethyl)-N-propylbutanediamide;hydrochloride has a molecular weight of 291.82 g/mol, XLogP of 0.83, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(piperidin-3-ylmethyl)-N-propylbutanediamide;hydrochloride is sourced from PubChem (CID 119463444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).