N-methyl-N-[3-(methylamino)-3-oxopropyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride

C14H24ClN5O2 — CID 120930880

IUPACN-methyl-N-[3-(methylamino)-3-oxopropyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
SMILESCNC(=O)CCN(C)C(=O)C1(n2cccn2)CCNCC1.Cl
InChIInChI=1S/C14H23N5O2.ClH/c1-15-12(20)4-11-18(2)13(21)14(5-8-16-9-6-14)19-10-3-7-17-19;/h3,7,10,16H,4-6,8-9,11H2,1-2H3,(H,15,20);1H
InChIKeyTZLKMYYREIDTKK-UHFFFAOYSA-N
MW329.83 g/mol
LogP-0.02
Rot. Bonds5

About N-methyl-N-[3-(methylamino)-3-oxopropyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride

N-methyl-N-[3-(methylamino)-3-oxopropyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride (PubChem CID 120930880) has the molecular formula C14H24ClN5O2 and a molecular weight of 329.83 g/mol. Its IUPAC name is N-methyl-N-[3-(methylamino)-3-oxopropyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-methyl-N-[3-(methylamino)-3-oxopropyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
PubChem CID120930880
Molecular FormulaC14H24ClN5O2
Molecular Weight329.83 g/mol
Exact Mass329.16
IUPAC NameN-methyl-N-[3-(methylamino)-3-oxopropyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
SMILESCNC(=O)CCN(C)C(=O)C1(n2cccn2)CCNCC1.Cl
InChIInChI=1S/C14H23N5O2.ClH/c1-15-12(20)4-11-18(2)13(21)14(5-8-16-9-6-14)19-10-3-7-17-19;/h3,7,10,16H,4-6,8-9,11H2,1-2H3,(H,15,20);1H
InChIKeyTZLKMYYREIDTKK-UHFFFAOYSA-N
XLogP-0.02
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.83
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[3-(methylamino)-3-oxopropyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride?
The IUPAC name of N-methyl-N-[3-(methylamino)-3-oxopropyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride (CID 120930880) is N-methyl-N-[3-(methylamino)-3-oxopropyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-methyl-N-[3-(methylamino)-3-oxopropyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride?
The canonical SMILES for N-methyl-N-[3-(methylamino)-3-oxopropyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride is CNC(=O)CCN(C)C(=O)C1(n2cccn2)CCNCC1.Cl.
What is the InChIKey of N-methyl-N-[3-(methylamino)-3-oxopropyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride?
The InChIKey is TZLKMYYREIDTKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O2.ClH/c1-15-12(20)4-11-18(2)13(21)14(5-8-16-9-6-14)19-10-3-7-17-19;/h3,7,10,16H,4-6,8-9,11H2,1-2H3,(H,15,20);1H.
What are the key properties of N-methyl-N-[3-(methylamino)-3-oxopropyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride?
N-methyl-N-[3-(methylamino)-3-oxopropyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride has a molecular weight of 329.83 g/mol, XLogP of -0.02, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[3-(methylamino)-3-oxopropyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 120930880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).