N-[6-(3-ethylphenoxy)-3-pyridinyl]piperidine-3-carboxamide;dihydrochloride

C19H25Cl2N3O2 — CID 119858521

IUPACN-[6-(3-ethylphenoxy)-3-pyridinyl]piperidine-3-carboxamide;dihydrochloride
SMILESCCc1cccc(Oc2ccc(NC(=O)C3CCCNC3)cn2)c1.Cl.Cl
InChIInChI=1S/C19H23N3O2.2ClH/c1-2-14-5-3-7-17(11-14)24-18-9-8-16(13-21-18)22-19(23)15-6-4-10-20-12-15;;/h3,5,7-9,11,13,15,20H,2,4,6,10,12H2,1H3,(H,22,23);2*1H
InChIKeyDQALOHUXZFMADM-UHFFFAOYSA-N
MW398.33 g/mol
LogP4.22
Rot. Bonds5

About N-[6-(3-ethylphenoxy)-3-pyridinyl]piperidine-3-carboxamide;dihydrochloride

N-[6-(3-ethylphenoxy)-3-pyridinyl]piperidine-3-carboxamide;dihydrochloride (PubChem CID 119858521) has the molecular formula C19H25Cl2N3O2 and a molecular weight of 398.33 g/mol. Its IUPAC name is N-[6-(3-ethylphenoxy)-3-pyridinyl]piperidine-3-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-[6-(3-ethylphenoxy)-3-pyridinyl]piperidine-3-carboxamide;dihydrochloride
PubChem CID119858521
Molecular FormulaC19H25Cl2N3O2
Molecular Weight398.33 g/mol
Exact Mass397.13
IUPAC NameN-[6-(3-ethylphenoxy)-3-pyridinyl]piperidine-3-carboxamide;dihydrochloride
SMILESCCc1cccc(Oc2ccc(NC(=O)C3CCCNC3)cn2)c1.Cl.Cl
InChIInChI=1S/C19H23N3O2.2ClH/c1-2-14-5-3-7-17(11-14)24-18-9-8-16(13-21-18)22-19(23)15-6-4-10-20-12-15;;/h3,5,7-9,11,13,15,20H,2,4,6,10,12H2,1H3,(H,22,23);2*1H
InChIKeyDQALOHUXZFMADM-UHFFFAOYSA-N
XLogP4.22
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.33
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[6-(3-carbamoylphenoxy)-3-pyridinyl]piperidine-3-carboxamide
CID 119872961
(2S,4S)-N-[6-(3-ethylphenoxy)-3-pyridinyl]-2-methylpiperidine-4-carboxamide
CID 120635226
(3S)-N-[6-(3-ethylphenoxy)-3-pyridinyl]-1,1-dioxothiolane-3-carboxamide
CID 94008813
N-[6-(3-ethylphenoxy)-3-pyridinyl]-4-hydroxypyrrolidine-2-carboxamide;dihydrochloride
CID 119858535
N-[6-(4-chlorophenoxy)-3-pyridinyl]piperidine-3-carboxamide
CID 119864063
N-[6-(2,3-dimethylphenoxy)-3-pyridinyl]piperidine-3-carboxamide
CID 119888472
N-[6-(3-ethylphenoxy)-3-pyridinyl]-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide
CID 126795027
N-[6-(3-ethylphenoxy)-3-pyridinyl]-4-hydroxypyrrolidine-2-carboxamide
CID 119858536
N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]piperidine-3-carboxamide;dihydrochloride
CID 119847592
N-[3-[(3-methylphenyl)methoxy]phenyl]piperidine-3-carboxamide;hydrochloride
CID 119323699
N-[3-[3-(dimethylamino)propoxy]phenyl]piperidine-3-carboxamide;dihydrochloride
CID 119885790
N-[6-(2-methoxyethoxy)-3-pyridinyl]pyrrolidine-3-carboxamide
CID 55150610

Frequently Asked Questions

What is the IUPAC name of N-[6-(3-ethylphenoxy)-3-pyridinyl]piperidine-3-carboxamide;dihydrochloride?
The IUPAC name of N-[6-(3-ethylphenoxy)-3-pyridinyl]piperidine-3-carboxamide;dihydrochloride (CID 119858521) is N-[6-(3-ethylphenoxy)-3-pyridinyl]piperidine-3-carboxamide;dihydrochloride.
What is the SMILES notation for N-[6-(3-ethylphenoxy)-3-pyridinyl]piperidine-3-carboxamide;dihydrochloride?
The canonical SMILES for N-[6-(3-ethylphenoxy)-3-pyridinyl]piperidine-3-carboxamide;dihydrochloride is CCc1cccc(Oc2ccc(NC(=O)C3CCCNC3)cn2)c1.Cl.Cl.
What is the InChIKey of N-[6-(3-ethylphenoxy)-3-pyridinyl]piperidine-3-carboxamide;dihydrochloride?
The InChIKey is DQALOHUXZFMADM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2.2ClH/c1-2-14-5-3-7-17(11-14)24-18-9-8-16(13-21-18)22-19(23)15-6-4-10-20-12-15;;/h3,5,7-9,11,13,15,20H,2,4,6,10,12H2,1H3,(H,22,23);2*1H.
What are the key properties of N-[6-(3-ethylphenoxy)-3-pyridinyl]piperidine-3-carboxamide;dihydrochloride?
N-[6-(3-ethylphenoxy)-3-pyridinyl]piperidine-3-carboxamide;dihydrochloride has a molecular weight of 398.33 g/mol, XLogP of 4.22, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(3-ethylphenoxy)-3-pyridinyl]piperidine-3-carboxamide;dihydrochloride is sourced from PubChem (CID 119858521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).