N,3-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]piperidine-3-carboxamide;dihydrochloride

C13H24Cl2N4O — CID 119946233

IUPACN,3-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]piperidine-3-carboxamide;dihydrochloride
SMILESCN(Cc1cnn(C)c1)C(=O)C1(C)CCCNC1.Cl.Cl
InChIInChI=1S/C13H22N4O.2ClH/c1-13(5-4-6-14-10-13)12(18)16(2)8-11-7-15-17(3)9-11;;/h7,9,14H,4-6,8,10H2,1-3H3;2*1H
InChIKeyAPUORHOGTZUVFT-UHFFFAOYSA-N
MW323.27 g/mol
LogP1.61
Rot. Bonds3

About N,3-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]piperidine-3-carboxamide;dihydrochloride

N,3-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]piperidine-3-carboxamide;dihydrochloride (PubChem CID 119946233) has the molecular formula C13H24Cl2N4O and a molecular weight of 323.27 g/mol. Its IUPAC name is N,3-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]piperidine-3-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN,3-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]piperidine-3-carboxamide;dihydrochloride
PubChem CID119946233
Molecular FormulaC13H24Cl2N4O
Molecular Weight323.27 g/mol
Exact Mass322.13
IUPAC NameN,3-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]piperidine-3-carboxamide;dihydrochloride
SMILESCN(Cc1cnn(C)c1)C(=O)C1(C)CCCNC1.Cl.Cl
InChIInChI=1S/C13H22N4O.2ClH/c1-13(5-4-6-14-10-13)12(18)16(2)8-11-7-15-17(3)9-11;;/h7,9,14H,4-6,8,10H2,1-3H3;2*1H
InChIKeyAPUORHOGTZUVFT-UHFFFAOYSA-N
XLogP1.61
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.27
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-ethylphenyl)methyl]-N,3-dimethylpiperidine-3-carboxamide;hydrochloride
CID 119943770
N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2-propylpyrrolidine-2-carboxamide
CID 106974560
N,3-dimethyl-N-[(4-propan-2-ylphenyl)methyl]piperidine-3-carboxamide
CID 63131135
N-[(4-hydroxy-3-methoxyphenyl)methyl]-N,3-dimethylpiperidine-3-carboxamide;hydrochloride
CID 119944199
N,3-dimethyl-N-(1,3-thiazol-4-ylmethyl)piperidine-3-carboxamide
CID 55164319
N-[(4-fluorophenyl)methyl]-N,3-dimethylpyrrolidine-3-carboxamide
CID 63138507
1-methyl-1-[(1-methylpyrazol-4-yl)methyl]urea
CID 60703151
2-[carboxymethyl-[methyl-[(1-methylpyrazol-4-yl)methyl]carbamoyl]amino]acetic acid
CID 63644606
N-methyl-1-(1-methylpyrazol-4-yl)-N-[(3-methylpyrrolidin-3-yl)methyl]methanamine
CID 63142986
2-[methyl-[methyl-[(1-methylpyrazol-4-yl)methyl]carbamoyl]amino]acetic acid
CID 61440246
(3S)-N,N,3-trimethyl-1-[(1-methylpyrazol-4-yl)methyl]piperidine-3-carboxamide
CID 95815537
3-amino-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]oxolane-3-carboxamide
CID 64893781

Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]piperidine-3-carboxamide;dihydrochloride?
The IUPAC name of N,3-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]piperidine-3-carboxamide;dihydrochloride (CID 119946233) is N,3-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]piperidine-3-carboxamide;dihydrochloride.
What is the SMILES notation for N,3-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]piperidine-3-carboxamide;dihydrochloride?
The canonical SMILES for N,3-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]piperidine-3-carboxamide;dihydrochloride is CN(Cc1cnn(C)c1)C(=O)C1(C)CCCNC1.Cl.Cl.
What is the InChIKey of N,3-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]piperidine-3-carboxamide;dihydrochloride?
The InChIKey is APUORHOGTZUVFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O.2ClH/c1-13(5-4-6-14-10-13)12(18)16(2)8-11-7-15-17(3)9-11;;/h7,9,14H,4-6,8,10H2,1-3H3;2*1H.
What are the key properties of N,3-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]piperidine-3-carboxamide;dihydrochloride?
N,3-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]piperidine-3-carboxamide;dihydrochloride has a molecular weight of 323.27 g/mol, XLogP of 1.61, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]piperidine-3-carboxamide;dihydrochloride is sourced from PubChem (CID 119946233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).