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

C13H25N3O2 — CID 119463445

IUPACN'-(piperidin-3-ylmethyl)-N-propylbutanediamide
SMILESCCCNC(=O)CCC(=O)NCC1CCCNC1
InChIInChI=1S/C13H25N3O2/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)
InChIKeyRXYQTMVQJXHTOT-UHFFFAOYSA-N
MW255.36 g/mol
LogP0.41
Rot. Bonds7

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

N'-(piperidin-3-ylmethyl)-N-propylbutanediamide (PubChem CID 119463445) has the molecular formula C13H25N3O2 and a molecular weight of 255.36 g/mol. Its IUPAC name is N'-(piperidin-3-ylmethyl)-N-propylbutanediamide.

Molecular Properties

Compound NameN'-(piperidin-3-ylmethyl)-N-propylbutanediamide
PubChem CID119463445
Molecular FormulaC13H25N3O2
Molecular Weight255.36 g/mol
Exact Mass255.19
IUPAC NameN'-(piperidin-3-ylmethyl)-N-propylbutanediamide
SMILESCCCNC(=O)CCC(=O)NCC1CCCNC1
InChIInChI=1S/C13H25N3O2/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)
InChIKeyRXYQTMVQJXHTOT-UHFFFAOYSA-N
XLogP0.41
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 50.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N'-(piperidin-3-ylmethyl)-N-propylbutanediamide;hydrochloride
CID 119463444
2-(diethylamino)-N-(piperidin-3-ylmethyl)acetamide;dihydrochloride
CID 119460245
2-methylsulfanyl-N-(piperidin-3-ylmethyl)acetamide;hydrochloride
CID 119462298
N-(pyrrolidin-3-ylmethyl)dodecanamide
CID 80564166
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
1-(piperidin-3-ylmethyl)-3-propan-2-ylurea
CID 43208690
2-ethyl-N-(piperidin-3-ylmethyl)butanamide;hydrochloride
CID 119462909
butyl N-(piperidin-3-ylmethyl)carbamate
CID 154053920
3-[[2-(azetidin-3-yl)acetyl]amino]-N-propylpropanamide
CID 64612461
methyl 2-oxo-2-(piperidin-3-ylmethylamino)acetate
CID 117126374
2,2,3,3-tetramethyl-N-(piperidin-3-ylmethyl)cyclopropane-1-carboxamide
CID 66475790

Frequently Asked Questions

What is the IUPAC name of N'-(piperidin-3-ylmethyl)-N-propylbutanediamide?
The IUPAC name of N'-(piperidin-3-ylmethyl)-N-propylbutanediamide (CID 119463445) is N'-(piperidin-3-ylmethyl)-N-propylbutanediamide.
What is the SMILES notation for N'-(piperidin-3-ylmethyl)-N-propylbutanediamide?
The canonical SMILES for N'-(piperidin-3-ylmethyl)-N-propylbutanediamide is CCCNC(=O)CCC(=O)NCC1CCCNC1.
What is the InChIKey of N'-(piperidin-3-ylmethyl)-N-propylbutanediamide?
The InChIKey is RXYQTMVQJXHTOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2/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).
What are the key properties of N'-(piperidin-3-ylmethyl)-N-propylbutanediamide?
N'-(piperidin-3-ylmethyl)-N-propylbutanediamide has a molecular weight of 255.36 g/mol, XLogP of 0.41, 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 is sourced from PubChem (CID 119463445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).