N-(4-methyl-2-pyridinyl)-3-piperidin-3-ylbutanamide;dihydrochloride

C15H25Cl2N3O — CID 119826802

IUPACN-(4-methyl-2-pyridinyl)-3-piperidin-3-ylbutanamide;dihydrochloride
SMILESCc1ccnc(NC(=O)CC(C)C2CCCNC2)c1.Cl.Cl
InChIInChI=1S/C15H23N3O.2ClH/c1-11-5-7-17-14(8-11)18-15(19)9-12(2)13-4-3-6-16-10-13;;/h5,7-8,12-13,16H,3-4,6,9-10H2,1-2H3,(H,17,18,19);2*1H
InChIKeyAVSAQNAVZJCNDQ-UHFFFAOYSA-N
MW334.29 g/mol
LogP3.20
Rot. Bonds4

About N-(4-methyl-2-pyridinyl)-3-piperidin-3-ylbutanamide;dihydrochloride

N-(4-methyl-2-pyridinyl)-3-piperidin-3-ylbutanamide;dihydrochloride (PubChem CID 119826802) has the molecular formula C15H25Cl2N3O and a molecular weight of 334.29 g/mol. Its IUPAC name is N-(4-methyl-2-pyridinyl)-3-piperidin-3-ylbutanamide;dihydrochloride.

Molecular Properties

Compound NameN-(4-methyl-2-pyridinyl)-3-piperidin-3-ylbutanamide;dihydrochloride
PubChem CID119826802
Molecular FormulaC15H25Cl2N3O
Molecular Weight334.29 g/mol
Exact Mass333.14
IUPAC NameN-(4-methyl-2-pyridinyl)-3-piperidin-3-ylbutanamide;dihydrochloride
SMILESCc1ccnc(NC(=O)CC(C)C2CCCNC2)c1.Cl.Cl
InChIInChI=1S/C15H23N3O.2ClH/c1-11-5-7-17-14(8-11)18-15(19)9-12(2)13-4-3-6-16-10-13;;/h5,7-8,12-13,16H,3-4,6,9-10H2,1-2H3,(H,17,18,19);2*1H
InChIKeyAVSAQNAVZJCNDQ-UHFFFAOYSA-N
XLogP3.20
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.29
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,4-dimethylphenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119670598
N-(5-methyl-1H-pyrazol-3-yl)-3-piperidin-3-ylbutanamide
CID 81044534
3-piperidin-3-yl-N-pyrimidin-2-ylbutanamide
CID 81043820
N-(2-methyl-3-pyridinyl)-3-piperidin-3-ylbutanamide
CID 81043884
N-(6-methyl-1,3-benzothiazol-2-yl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119674536
N-[2-(2-methoxyethoxy)-4-methylphenyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119726878
N-(3-acetamidophenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119671636
N-(3-bromo-4-methylphenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119704625
N-(3-chloro-2-pyridinyl)-3-piperidin-3-ylbutanamide
CID 103094136
N-(5-bromo-2-methylphenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119705936
N-(2-chloro-3-pyridinyl)-3-piperidin-3-ylbutanamide
CID 81044263
N-(4-bromophenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119670352

Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-2-pyridinyl)-3-piperidin-3-ylbutanamide;dihydrochloride?
The IUPAC name of N-(4-methyl-2-pyridinyl)-3-piperidin-3-ylbutanamide;dihydrochloride (CID 119826802) is N-(4-methyl-2-pyridinyl)-3-piperidin-3-ylbutanamide;dihydrochloride.
What is the SMILES notation for N-(4-methyl-2-pyridinyl)-3-piperidin-3-ylbutanamide;dihydrochloride?
The canonical SMILES for N-(4-methyl-2-pyridinyl)-3-piperidin-3-ylbutanamide;dihydrochloride is Cc1ccnc(NC(=O)CC(C)C2CCCNC2)c1.Cl.Cl.
What is the InChIKey of N-(4-methyl-2-pyridinyl)-3-piperidin-3-ylbutanamide;dihydrochloride?
The InChIKey is AVSAQNAVZJCNDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O.2ClH/c1-11-5-7-17-14(8-11)18-15(19)9-12(2)13-4-3-6-16-10-13;;/h5,7-8,12-13,16H,3-4,6,9-10H2,1-2H3,(H,17,18,19);2*1H.
What are the key properties of N-(4-methyl-2-pyridinyl)-3-piperidin-3-ylbutanamide;dihydrochloride?
N-(4-methyl-2-pyridinyl)-3-piperidin-3-ylbutanamide;dihydrochloride has a molecular weight of 334.29 g/mol, XLogP of 3.20, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-2-pyridinyl)-3-piperidin-3-ylbutanamide;dihydrochloride is sourced from PubChem (CID 119826802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).