3-piperidin-3-yl-N-(3-pyridin-4-yloxyphenyl)butanamide;dihydrochloride

C20H27Cl2N3O2 — CID 119886951

IUPAC3-piperidin-3-yl-N-(3-pyridin-4-yloxyphenyl)butanamide;dihydrochloride
SMILESCC(CC(=O)Nc1cccc(Oc2ccncc2)c1)C1CCCNC1.Cl.Cl
InChIInChI=1S/C20H25N3O2.2ClH/c1-15(16-4-3-9-22-14-16)12-20(24)23-17-5-2-6-19(13-17)25-18-7-10-21-11-8-18;;/h2,5-8,10-11,13,15-16,22H,3-4,9,12,14H2,1H3,(H,23,24);2*1H
InChIKeySOQUQVKLVMRPEF-UHFFFAOYSA-N
MW412.36 g/mol
LogP4.68
Rot. Bonds6

About 3-piperidin-3-yl-N-(3-pyridin-4-yloxyphenyl)butanamide;dihydrochloride

3-piperidin-3-yl-N-(3-pyridin-4-yloxyphenyl)butanamide;dihydrochloride (PubChem CID 119886951) has the molecular formula C20H27Cl2N3O2 and a molecular weight of 412.36 g/mol. Its IUPAC name is 3-piperidin-3-yl-N-(3-pyridin-4-yloxyphenyl)butanamide;dihydrochloride.

Molecular Properties

Compound Name3-piperidin-3-yl-N-(3-pyridin-4-yloxyphenyl)butanamide;dihydrochloride
PubChem CID119886951
Molecular FormulaC20H27Cl2N3O2
Molecular Weight412.36 g/mol
Exact Mass411.15
IUPAC Name3-piperidin-3-yl-N-(3-pyridin-4-yloxyphenyl)butanamide;dihydrochloride
SMILESCC(CC(=O)Nc1cccc(Oc2ccncc2)c1)C1CCCNC1.Cl.Cl
InChIInChI=1S/C20H25N3O2.2ClH/c1-15(16-4-3-9-22-14-16)12-20(24)23-17-5-2-6-19(13-17)25-18-7-10-21-11-8-18;;/h2,5-8,10-11,13,15-16,22H,3-4,9,12,14H2,1H3,(H,23,24);2*1H
InChIKeySOQUQVKLVMRPEF-UHFFFAOYSA-N
XLogP4.68
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.36
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(2-methylpropoxy)phenyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119714898
3-(3-piperidin-3-ylbutanoylamino)-N-pyridin-4-ylbenzamide;dihydrochloride
CID 119870552
N-(3-acetamidophenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119671636
N-(3-fluorophenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119671066
N-[3-[3-(dimethylamino)propoxy]phenyl]-3-piperidin-3-ylbutanamide;dihydrochloride
CID 119885836
N-[3-(3-piperidin-3-ylbutanoylamino)phenyl]cyclopropanecarboxamide
CID 119710473
3-(3-piperidin-3-ylbutanoylamino)benzamide
CID 81049250
N-(3-methylsulfinylphenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119743910
3-piperidin-3-yl-N-[3-(trifluoromethyl)phenyl]butanamide;hydrochloride
CID 119671265
N-[6-(4-fluorophenoxy)-3-pyridinyl]-3-piperidin-3-ylbutanamide;dihydrochloride
CID 119849091
N-(3-methylsulfonylphenyl)-3-piperidin-3-ylbutanamide
CID 119694301
N-(3-methylsulfinylphenyl)-3-piperidin-3-ylbutanamide
CID 119743911

Frequently Asked Questions

What is the IUPAC name of 3-piperidin-3-yl-N-(3-pyridin-4-yloxyphenyl)butanamide;dihydrochloride?
The IUPAC name of 3-piperidin-3-yl-N-(3-pyridin-4-yloxyphenyl)butanamide;dihydrochloride (CID 119886951) is 3-piperidin-3-yl-N-(3-pyridin-4-yloxyphenyl)butanamide;dihydrochloride.
What is the SMILES notation for 3-piperidin-3-yl-N-(3-pyridin-4-yloxyphenyl)butanamide;dihydrochloride?
The canonical SMILES for 3-piperidin-3-yl-N-(3-pyridin-4-yloxyphenyl)butanamide;dihydrochloride is CC(CC(=O)Nc1cccc(Oc2ccncc2)c1)C1CCCNC1.Cl.Cl.
What is the InChIKey of 3-piperidin-3-yl-N-(3-pyridin-4-yloxyphenyl)butanamide;dihydrochloride?
The InChIKey is SOQUQVKLVMRPEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2.2ClH/c1-15(16-4-3-9-22-14-16)12-20(24)23-17-5-2-6-19(13-17)25-18-7-10-21-11-8-18;;/h2,5-8,10-11,13,15-16,22H,3-4,9,12,14H2,1H3,(H,23,24);2*1H.
What are the key properties of 3-piperidin-3-yl-N-(3-pyridin-4-yloxyphenyl)butanamide;dihydrochloride?
3-piperidin-3-yl-N-(3-pyridin-4-yloxyphenyl)butanamide;dihydrochloride has a molecular weight of 412.36 g/mol, XLogP of 4.68, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperidin-3-yl-N-(3-pyridin-4-yloxyphenyl)butanamide;dihydrochloride is sourced from PubChem (CID 119886951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).