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

C16H27Cl2N3O — CID 119869388

IUPACN-[(3-methyl-2-pyridinyl)methyl]-3-piperidin-3-ylbutanamide;dihydrochloride
SMILESCc1cccnc1CNC(=O)CC(C)C1CCCNC1.Cl.Cl
InChIInChI=1S/C16H25N3O.2ClH/c1-12-5-3-8-18-15(12)11-19-16(20)9-13(2)14-6-4-7-17-10-14;;/h3,5,8,13-14,17H,4,6-7,9-11H2,1-2H3,(H,19,20);2*1H
InChIKeyLQINOKQZGGWHLF-UHFFFAOYSA-N
MW348.32 g/mol
LogP2.88
Rot. Bonds5

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

N-[(3-methyl-2-pyridinyl)methyl]-3-piperidin-3-ylbutanamide;dihydrochloride (PubChem CID 119869388) has the molecular formula C16H27Cl2N3O and a molecular weight of 348.32 g/mol. Its IUPAC name is N-[(3-methyl-2-pyridinyl)methyl]-3-piperidin-3-ylbutanamide;dihydrochloride.

Molecular Properties

Compound NameN-[(3-methyl-2-pyridinyl)methyl]-3-piperidin-3-ylbutanamide;dihydrochloride
PubChem CID119869388
Molecular FormulaC16H27Cl2N3O
Molecular Weight348.32 g/mol
Exact Mass347.15
IUPAC NameN-[(3-methyl-2-pyridinyl)methyl]-3-piperidin-3-ylbutanamide;dihydrochloride
SMILESCc1cccnc1CNC(=O)CC(C)C1CCCNC1.Cl.Cl
InChIInChI=1S/C16H25N3O.2ClH/c1-12-5-3-8-18-15(12)11-19-16(20)9-13(2)14-6-4-7-17-10-14;;/h3,5,8,13-14,17H,4,6-7,9-11H2,1-2H3,(H,19,20);2*1H
InChIKeyLQINOKQZGGWHLF-UHFFFAOYSA-N
XLogP2.88
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.32
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-ethyl-2-pyridinyl)methyl]-3-piperidin-3-ylbutanamide
CID 82737570
3-piperidin-3-yl-N-(pyridin-2-ylmethyl)butanamide
CID 81043996
N-[(2-methoxy-3-pyridinyl)methyl]-3-piperidin-3-ylbutanamide
CID 81049427
3-piperidin-3-yl-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]butanamide;dihydrochloride
CID 119847133
2-(3-methyl-2-pyridinyl)-N-(1-piperidin-3-ylethyl)acetamide
CID 107148388
N-(2-methyl-3-pyridinyl)-3-piperidin-3-ylbutanamide
CID 81043884
N-[2-(2-methylphenyl)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119688188
3-piperidin-3-yl-N-pyrimidin-2-ylbutanamide
CID 81043820
N-[3-(2-methylphenoxy)propyl]-3-piperidin-3-ylbutanamide
CID 119772269
N-[2-[(3-chloro-2-pyridinyl)oxy]ethyl]-3-piperidin-3-ylbutanamide;dihydrochloride
CID 119900701
N-(3-chloro-2-pyridinyl)-3-piperidin-3-ylbutanamide
CID 103094136
N-(2-chloro-3-pyridinyl)-3-piperidin-3-ylbutanamide
CID 81044263

Frequently Asked Questions

What is the IUPAC name of N-[(3-methyl-2-pyridinyl)methyl]-3-piperidin-3-ylbutanamide;dihydrochloride?
The IUPAC name of N-[(3-methyl-2-pyridinyl)methyl]-3-piperidin-3-ylbutanamide;dihydrochloride (CID 119869388) is N-[(3-methyl-2-pyridinyl)methyl]-3-piperidin-3-ylbutanamide;dihydrochloride.
What is the SMILES notation for N-[(3-methyl-2-pyridinyl)methyl]-3-piperidin-3-ylbutanamide;dihydrochloride?
The canonical SMILES for N-[(3-methyl-2-pyridinyl)methyl]-3-piperidin-3-ylbutanamide;dihydrochloride is Cc1cccnc1CNC(=O)CC(C)C1CCCNC1.Cl.Cl.
What is the InChIKey of N-[(3-methyl-2-pyridinyl)methyl]-3-piperidin-3-ylbutanamide;dihydrochloride?
The InChIKey is LQINOKQZGGWHLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O.2ClH/c1-12-5-3-8-18-15(12)11-19-16(20)9-13(2)14-6-4-7-17-10-14;;/h3,5,8,13-14,17H,4,6-7,9-11H2,1-2H3,(H,19,20);2*1H.
What are the key properties of N-[(3-methyl-2-pyridinyl)methyl]-3-piperidin-3-ylbutanamide;dihydrochloride?
N-[(3-methyl-2-pyridinyl)methyl]-3-piperidin-3-ylbutanamide;dihydrochloride has a molecular weight of 348.32 g/mol, XLogP of 2.88, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methyl-2-pyridinyl)methyl]-3-piperidin-3-ylbutanamide;dihydrochloride is sourced from PubChem (CID 119869388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).