N-methyl-N-(1-methylpyrazol-4-yl)-3-piperidin-3-ylbutanamide;dihydrochloride

C14H26Cl2N4O — CID 119893068

IUPACN-methyl-N-(1-methylpyrazol-4-yl)-3-piperidin-3-ylbutanamide;dihydrochloride
SMILESCC(CC(=O)N(C)c1cnn(C)c1)C1CCCNC1.Cl.Cl
InChIInChI=1S/C14H24N4O.2ClH/c1-11(12-5-4-6-15-8-12)7-14(19)18(3)13-9-16-17(2)10-13;;/h9-12,15H,4-8H2,1-3H3;2*1H
InChIKeyURZQGYJMNXTSMM-UHFFFAOYSA-N
MW337.30 g/mol
LogP2.25
Rot. Bonds4

About N-methyl-N-(1-methylpyrazol-4-yl)-3-piperidin-3-ylbutanamide;dihydrochloride

N-methyl-N-(1-methylpyrazol-4-yl)-3-piperidin-3-ylbutanamide;dihydrochloride (PubChem CID 119893068) has the molecular formula C14H26Cl2N4O and a molecular weight of 337.30 g/mol. Its IUPAC name is N-methyl-N-(1-methylpyrazol-4-yl)-3-piperidin-3-ylbutanamide;dihydrochloride.

Molecular Properties

Compound NameN-methyl-N-(1-methylpyrazol-4-yl)-3-piperidin-3-ylbutanamide;dihydrochloride
PubChem CID119893068
Molecular FormulaC14H26Cl2N4O
Molecular Weight337.30 g/mol
Exact Mass336.15
IUPAC NameN-methyl-N-(1-methylpyrazol-4-yl)-3-piperidin-3-ylbutanamide;dihydrochloride
SMILESCC(CC(=O)N(C)c1cnn(C)c1)C1CCCNC1.Cl.Cl
InChIInChI=1S/C14H24N4O.2ClH/c1-11(12-5-4-6-15-8-12)7-14(19)18(3)13-9-16-17(2)10-13;;/h9-12,15H,4-8H2,1-3H3;2*1H
InChIKeyURZQGYJMNXTSMM-UHFFFAOYSA-N
XLogP2.25
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.30
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,5-dimethylphenyl)-N-methyl-3-piperidin-3-ylbutanamide;hydrochloride
CID 119743630
N-methyl-3-piperidin-3-yl-N-(4-propan-2-ylphenyl)butanamide;hydrochloride
CID 119807731
N-methyl-N-(1-methylpyrazol-4-yl)piperidine-3-carboxamide;dihydrochloride
CID 119893048
N-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119801200
N-methyl-3-piperidin-3-yl-N-propylbutanamide
CID 81043827
N-butyl-N-methyl-3-piperidin-3-ylbutanamide;hydrochloride
CID 119672315
N-methyl-3-piperidin-3-yl-N-(1-propylpiperidin-4-yl)butanamide
CID 119859562
N-(2-amino-2-oxoethyl)-N-methyl-3-piperidin-3-ylbutanamide
CID 81044730
N-methyl-N-(2-methylpropyl)-3-piperidin-3-ylbutanamide
CID 81043828
3-piperidin-3-yl-N,N-dipropylbutanamide
CID 81043811
N-(2,3-dihydro-1H-inden-2-yl)-N-methyl-3-piperidin-3-ylbutanamide;hydrochloride
CID 119746195
N,N-bis(cyclopropylmethyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119791148

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(1-methylpyrazol-4-yl)-3-piperidin-3-ylbutanamide;dihydrochloride?
The IUPAC name of N-methyl-N-(1-methylpyrazol-4-yl)-3-piperidin-3-ylbutanamide;dihydrochloride (CID 119893068) is N-methyl-N-(1-methylpyrazol-4-yl)-3-piperidin-3-ylbutanamide;dihydrochloride.
What is the SMILES notation for N-methyl-N-(1-methylpyrazol-4-yl)-3-piperidin-3-ylbutanamide;dihydrochloride?
The canonical SMILES for N-methyl-N-(1-methylpyrazol-4-yl)-3-piperidin-3-ylbutanamide;dihydrochloride is CC(CC(=O)N(C)c1cnn(C)c1)C1CCCNC1.Cl.Cl.
What is the InChIKey of N-methyl-N-(1-methylpyrazol-4-yl)-3-piperidin-3-ylbutanamide;dihydrochloride?
The InChIKey is URZQGYJMNXTSMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O.2ClH/c1-11(12-5-4-6-15-8-12)7-14(19)18(3)13-9-16-17(2)10-13;;/h9-12,15H,4-8H2,1-3H3;2*1H.
What are the key properties of N-methyl-N-(1-methylpyrazol-4-yl)-3-piperidin-3-ylbutanamide;dihydrochloride?
N-methyl-N-(1-methylpyrazol-4-yl)-3-piperidin-3-ylbutanamide;dihydrochloride has a molecular weight of 337.30 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(1-methylpyrazol-4-yl)-3-piperidin-3-ylbutanamide;dihydrochloride is sourced from PubChem (CID 119893068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).