N'-(4-methylpiperidin-4-yl)propanediamide;hydrochloride

C9H18ClN3O2 — CID 130747775

IUPACN'-(4-methylpiperidin-4-yl)propanediamide;hydrochloride
SMILESCC1(NC(=O)CC(N)=O)CCNCC1.Cl
InChIInChI=1S/C9H17N3O2.ClH/c1-9(2-4-11-5-3-9)12-8(14)6-7(10)13;/h11H,2-6H2,1H3,(H2,10,13)(H,12,14);1H
InChIKeyBUVHQQGROUJQHU-UHFFFAOYSA-N
MW235.71 g/mol
LogP-0.46
Rot. Bonds3

About N'-(4-methylpiperidin-4-yl)propanediamide;hydrochloride

N'-(4-methylpiperidin-4-yl)propanediamide;hydrochloride (PubChem CID 130747775) has the molecular formula C9H18ClN3O2 and a molecular weight of 235.71 g/mol. Its IUPAC name is N'-(4-methylpiperidin-4-yl)propanediamide;hydrochloride.

Molecular Properties

Compound NameN'-(4-methylpiperidin-4-yl)propanediamide;hydrochloride
PubChem CID130747775
Molecular FormulaC9H18ClN3O2
Molecular Weight235.71 g/mol
Exact Mass235.11
IUPAC NameN'-(4-methylpiperidin-4-yl)propanediamide;hydrochloride
SMILESCC1(NC(=O)CC(N)=O)CCNCC1.Cl
InChIInChI=1S/C9H17N3O2.ClH/c1-9(2-4-11-5-3-9)12-8(14)6-7(10)13;/h11H,2-6H2,1H3,(H2,10,13)(H,12,14);1H
InChIKeyBUVHQQGROUJQHU-UHFFFAOYSA-N
XLogP-0.46
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.71
LogP ≤ 5-0.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N-(4-methylpiperidin-4-yl)propanamide
CID 114696244
(4-methylpiperidin-4-yl)carbamic acid;hydrochloride
CID 121334668
3-methyl-N-(4-methylpiperidin-4-yl)pentanamide
CID 114875717
N-(4-methylpiperidin-4-yl)-2-methylsulfonylacetamide
CID 114696301
3,4,4-trimethyl-N-(4-methylpiperidin-4-yl)pentanamide;hydrochloride
CID 120567172
2-methyl-N-(4-methylpiperidin-4-yl)propanamide
CID 114696426
1,1-diethyl-3-(4-methylpiperidin-4-yl)urea
CID 114696676
3-amino-3-hydroxyimino-N-(1-methylcyclopropyl)propanamide
CID 104865818
N-(1-methylcyclopropyl)-2-piperidin-4-ylacetamide
CID 115739550
2-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)-N-(4-methylpiperidin-4-yl)acetamide
CID 122571995
(E)-N-(4-methylpiperidin-4-yl)-3-methylsulfanylprop-2-enamide;hydrochloride
CID 131242459
[(4-methylpiperidin-4-yl)amino]carbamic acid
CID 174694295

Frequently Asked Questions

What is the IUPAC name of N'-(4-methylpiperidin-4-yl)propanediamide;hydrochloride?
The IUPAC name of N'-(4-methylpiperidin-4-yl)propanediamide;hydrochloride (CID 130747775) is N'-(4-methylpiperidin-4-yl)propanediamide;hydrochloride.
What is the SMILES notation for N'-(4-methylpiperidin-4-yl)propanediamide;hydrochloride?
The canonical SMILES for N'-(4-methylpiperidin-4-yl)propanediamide;hydrochloride is CC1(NC(=O)CC(N)=O)CCNCC1.Cl.
What is the InChIKey of N'-(4-methylpiperidin-4-yl)propanediamide;hydrochloride?
The InChIKey is BUVHQQGROUJQHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O2.ClH/c1-9(2-4-11-5-3-9)12-8(14)6-7(10)13;/h11H,2-6H2,1H3,(H2,10,13)(H,12,14);1H.
What are the key properties of N'-(4-methylpiperidin-4-yl)propanediamide;hydrochloride?
N'-(4-methylpiperidin-4-yl)propanediamide;hydrochloride has a molecular weight of 235.71 g/mol, XLogP of -0.46, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-methylpiperidin-4-yl)propanediamide;hydrochloride is sourced from PubChem (CID 130747775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).