4-(methylamino)-N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]butanamide;dihydrochloride

C14H27Cl2N5O — CID 119889291

IUPAC4-(methylamino)-N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]butanamide;dihydrochloride
SMILESCNCCCC(=O)NC1CCCN(c2cnn(C)c2)C1.Cl.Cl
InChIInChI=1S/C14H25N5O.2ClH/c1-15-7-3-6-14(20)17-12-5-4-8-19(10-12)13-9-16-18(2)11-13;;/h9,11-12,15H,3-8,10H2,1-2H3,(H,17,20);2*1H
InChIKeyCZZWCFRFODRCMH-UHFFFAOYSA-N
MW352.31 g/mol
LogP1.35
Rot. Bonds6

About 4-(methylamino)-N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]butanamide;dihydrochloride

4-(methylamino)-N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]butanamide;dihydrochloride (PubChem CID 119889291) has the molecular formula C14H27Cl2N5O and a molecular weight of 352.31 g/mol. Its IUPAC name is 4-(methylamino)-N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]butanamide;dihydrochloride.

Molecular Properties

Compound Name4-(methylamino)-N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]butanamide;dihydrochloride
PubChem CID119889291
Molecular FormulaC14H27Cl2N5O
Molecular Weight352.31 g/mol
Exact Mass351.16
IUPAC Name4-(methylamino)-N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]butanamide;dihydrochloride
SMILESCNCCCC(=O)NC1CCCN(c2cnn(C)c2)C1.Cl.Cl
InChIInChI=1S/C14H25N5O.2ClH/c1-15-7-3-6-14(20)17-12-5-4-8-19(10-12)13-9-16-18(2)11-13;;/h9,11-12,15H,3-8,10H2,1-2H3,(H,17,20);2*1H
InChIKeyCZZWCFRFODRCMH-UHFFFAOYSA-N
XLogP1.35
TPSA62.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.31
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(methylamino)-N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]butanamide;dihydrochloride?
The IUPAC name of 4-(methylamino)-N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]butanamide;dihydrochloride (CID 119889291) is 4-(methylamino)-N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]butanamide;dihydrochloride.
What is the SMILES notation for 4-(methylamino)-N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]butanamide;dihydrochloride?
The canonical SMILES for 4-(methylamino)-N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]butanamide;dihydrochloride is CNCCCC(=O)NC1CCCN(c2cnn(C)c2)C1.Cl.Cl.
What is the InChIKey of 4-(methylamino)-N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]butanamide;dihydrochloride?
The InChIKey is CZZWCFRFODRCMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5O.2ClH/c1-15-7-3-6-14(20)17-12-5-4-8-19(10-12)13-9-16-18(2)11-13;;/h9,11-12,15H,3-8,10H2,1-2H3,(H,17,20);2*1H.
What are the key properties of 4-(methylamino)-N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]butanamide;dihydrochloride?
4-(methylamino)-N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]butanamide;dihydrochloride has a molecular weight of 352.31 g/mol, XLogP of 1.35, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylamino)-N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]butanamide;dihydrochloride is sourced from PubChem (CID 119889291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).