N-[2-[(3-chloro-2-pyridinyl)oxy]ethyl]-3-piperidin-3-ylbutanamide;dihydrochloride

C16H26Cl3N3O2 — CID 119900701

IUPACN-[2-[(3-chloro-2-pyridinyl)oxy]ethyl]-3-piperidin-3-ylbutanamide;dihydrochloride
SMILESCC(CC(=O)NCCOc1ncccc1Cl)C1CCCNC1.Cl.Cl
InChIInChI=1S/C16H24ClN3O2.2ClH/c1-12(13-4-2-6-18-11-13)10-15(21)19-8-9-22-16-14(17)5-3-7-20-16;;/h3,5,7,12-13,18H,2,4,6,8-11H2,1H3,(H,19,21);2*1H
InChIKeyLTQZOIVVCGMMKT-UHFFFAOYSA-N
MW398.76 g/mol
LogP3.10
Rot. Bonds7

About N-[2-[(3-chloro-2-pyridinyl)oxy]ethyl]-3-piperidin-3-ylbutanamide;dihydrochloride

N-[2-[(3-chloro-2-pyridinyl)oxy]ethyl]-3-piperidin-3-ylbutanamide;dihydrochloride (PubChem CID 119900701) has the molecular formula C16H26Cl3N3O2 and a molecular weight of 398.76 g/mol. Its IUPAC name is N-[2-[(3-chloro-2-pyridinyl)oxy]ethyl]-3-piperidin-3-ylbutanamide;dihydrochloride.

Molecular Properties

Compound NameN-[2-[(3-chloro-2-pyridinyl)oxy]ethyl]-3-piperidin-3-ylbutanamide;dihydrochloride
PubChem CID119900701
Molecular FormulaC16H26Cl3N3O2
Molecular Weight398.76 g/mol
Exact Mass397.11
IUPAC NameN-[2-[(3-chloro-2-pyridinyl)oxy]ethyl]-3-piperidin-3-ylbutanamide;dihydrochloride
SMILESCC(CC(=O)NCCOc1ncccc1Cl)C1CCCNC1.Cl.Cl
InChIInChI=1S/C16H24ClN3O2.2ClH/c1-12(13-4-2-6-18-11-13)10-15(21)19-8-9-22-16-14(17)5-3-7-20-16;;/h3,5,7,12-13,18H,2,4,6,8-11H2,1H3,(H,19,21);2*1H
InChIKeyLTQZOIVVCGMMKT-UHFFFAOYSA-N
XLogP3.10
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.76
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(4-chlorophenoxy)ethyl]-3-piperidin-3-ylbutanamide
CID 119690043
N-(3-chloro-2-pyridinyl)-3-piperidin-3-ylbutanamide
CID 103094136
N-[2-[(3-chloro-2-pyridinyl)oxy]ethyl]piperidine-3-carboxamide
CID 119900670
N-[(2-methoxy-3-pyridinyl)methyl]-3-piperidin-3-ylbutanamide
CID 81049427
N-[2-(2-phenylphenoxy)ethyl]-3-piperidin-3-ylbutanamide
CID 119754365
N-[(3-methyl-2-pyridinyl)methyl]-3-piperidin-3-ylbutanamide;dihydrochloride
CID 119869388
3-piperidin-3-yl-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]butanamide;dihydrochloride
CID 119847133
N-[2-(4-methylsulfonylphenoxy)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119777473
N-(2-chloro-3-pyridinyl)-3-piperidin-3-ylbutanamide
CID 81044263
N-[3-(2-methylphenoxy)propyl]-3-piperidin-3-ylbutanamide
CID 119772269
N-[3-(4-methylphenoxy)propyl]-3-piperidin-3-ylbutanamide
CID 119757253
N-[3-(2-phenylethoxy)propyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119739682

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3-chloro-2-pyridinyl)oxy]ethyl]-3-piperidin-3-ylbutanamide;dihydrochloride?
The IUPAC name of N-[2-[(3-chloro-2-pyridinyl)oxy]ethyl]-3-piperidin-3-ylbutanamide;dihydrochloride (CID 119900701) is N-[2-[(3-chloro-2-pyridinyl)oxy]ethyl]-3-piperidin-3-ylbutanamide;dihydrochloride.
What is the SMILES notation for N-[2-[(3-chloro-2-pyridinyl)oxy]ethyl]-3-piperidin-3-ylbutanamide;dihydrochloride?
The canonical SMILES for N-[2-[(3-chloro-2-pyridinyl)oxy]ethyl]-3-piperidin-3-ylbutanamide;dihydrochloride is CC(CC(=O)NCCOc1ncccc1Cl)C1CCCNC1.Cl.Cl.
What is the InChIKey of N-[2-[(3-chloro-2-pyridinyl)oxy]ethyl]-3-piperidin-3-ylbutanamide;dihydrochloride?
The InChIKey is LTQZOIVVCGMMKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClN3O2.2ClH/c1-12(13-4-2-6-18-11-13)10-15(21)19-8-9-22-16-14(17)5-3-7-20-16;;/h3,5,7,12-13,18H,2,4,6,8-11H2,1H3,(H,19,21);2*1H.
What are the key properties of N-[2-[(3-chloro-2-pyridinyl)oxy]ethyl]-3-piperidin-3-ylbutanamide;dihydrochloride?
N-[2-[(3-chloro-2-pyridinyl)oxy]ethyl]-3-piperidin-3-ylbutanamide;dihydrochloride has a molecular weight of 398.76 g/mol, XLogP of 3.10, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3-chloro-2-pyridinyl)oxy]ethyl]-3-piperidin-3-ylbutanamide;dihydrochloride is sourced from PubChem (CID 119900701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).