N-(3-methylpiperidin-4-yl)-N',N'-dipropylpentanediamide

C17H33N3O2 — CID 120557827

IUPACN-(3-methylpiperidin-4-yl)-N',N'-dipropylpentanediamide
SMILESCCCN(CCC)C(=O)CCCC(=O)NC1CCNCC1C
InChIInChI=1S/C17H33N3O2/c1-4-11-20(12-5-2)17(22)8-6-7-16(21)19-15-9-10-18-13-14(15)3/h14-15,18H,4-13H2,1-3H3,(H,19,21)
InChIKeyNVPHDEAWWIWXAB-UHFFFAOYSA-N
MW311.47 g/mol
LogP1.92
Rot. Bonds9

About N-(3-methylpiperidin-4-yl)-N',N'-dipropylpentanediamide

N-(3-methylpiperidin-4-yl)-N',N'-dipropylpentanediamide (PubChem CID 120557827) has the molecular formula C17H33N3O2 and a molecular weight of 311.47 g/mol. Its IUPAC name is N-(3-methylpiperidin-4-yl)-N',N'-dipropylpentanediamide.

Molecular Properties

Compound NameN-(3-methylpiperidin-4-yl)-N',N'-dipropylpentanediamide
PubChem CID120557827
Molecular FormulaC17H33N3O2
Molecular Weight311.47 g/mol
Exact Mass311.26
IUPAC NameN-(3-methylpiperidin-4-yl)-N',N'-dipropylpentanediamide
SMILESCCCN(CCC)C(=O)CCCC(=O)NC1CCNCC1C
InChIInChI=1S/C17H33N3O2/c1-4-11-20(12-5-2)17(22)8-6-7-16(21)19-15-9-10-18-13-14(15)3/h14-15,18H,4-13H2,1-3H3,(H,19,21)
InChIKeyNVPHDEAWWIWXAB-UHFFFAOYSA-N
XLogP1.92
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.47
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-methylpiperidin-4-yl)decanamide
CID 79886452
N'-(3-methylpiperidin-4-yl)-N-propylpentanediamide
CID 120554463
N-piperidin-4-yl-N',N'-dipropylbutanediamide
CID 119386125
N'-(3-methylpiperidin-4-yl)-N-propylbutanediamide;hydrochloride
CID 120557551
N-[2-(aminomethyl)cyclohexyl]-N',N'-dipropylpentanediamide
CID 119612503
N-(3-methylpiperidin-4-yl)-2-pentylsulfonylacetamide
CID 120556023
N-(3-methylpiperidin-4-yl)-4-prop-2-enoxybutanamide;hydrochloride
CID 120556581
2-(diethylamino)-N-(3-methylpiperidin-4-yl)acetamide;dihydrochloride
CID 120553416
N-(4-methylpiperidin-3-yl)nonanamide
CID 65449508
N',N'-diethyl-N-piperidin-4-ylpentanediamide
CID 119386732
N-(3-methylpiperidin-4-yl)-4-oxo-4-(4-pentylphenyl)butanamide;hydrochloride
CID 120553973
4-[(4-fluorophenyl)sulfonyl-methylamino]-N-(3-methylpiperidin-4-yl)butanamide;hydrochloride
CID 120554264

Frequently Asked Questions

What is the IUPAC name of N-(3-methylpiperidin-4-yl)-N',N'-dipropylpentanediamide?
The IUPAC name of N-(3-methylpiperidin-4-yl)-N',N'-dipropylpentanediamide (CID 120557827) is N-(3-methylpiperidin-4-yl)-N',N'-dipropylpentanediamide.
What is the SMILES notation for N-(3-methylpiperidin-4-yl)-N',N'-dipropylpentanediamide?
The canonical SMILES for N-(3-methylpiperidin-4-yl)-N',N'-dipropylpentanediamide is CCCN(CCC)C(=O)CCCC(=O)NC1CCNCC1C.
What is the InChIKey of N-(3-methylpiperidin-4-yl)-N',N'-dipropylpentanediamide?
The InChIKey is NVPHDEAWWIWXAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3O2/c1-4-11-20(12-5-2)17(22)8-6-7-16(21)19-15-9-10-18-13-14(15)3/h14-15,18H,4-13H2,1-3H3,(H,19,21).
What are the key properties of N-(3-methylpiperidin-4-yl)-N',N'-dipropylpentanediamide?
N-(3-methylpiperidin-4-yl)-N',N'-dipropylpentanediamide has a molecular weight of 311.47 g/mol, XLogP of 1.92, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylpiperidin-4-yl)-N',N'-dipropylpentanediamide is sourced from PubChem (CID 120557827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).