4-methoxy-N-[3-(pyridin-2-ylcarbamoyl)phenyl]piperidine-4-carboxamide;dihydrochloride

C19H24Cl2N4O3 — CID 119870520

IUPAC4-methoxy-N-[3-(pyridin-2-ylcarbamoyl)phenyl]piperidine-4-carboxamide;dihydrochloride
SMILESCOC1(C(=O)Nc2cccc(C(=O)Nc3ccccn3)c2)CCNCC1.Cl.Cl
InChIInChI=1S/C19H22N4O3.2ClH/c1-26-19(8-11-20-12-9-19)18(25)22-15-6-4-5-14(13-15)17(24)23-16-7-2-3-10-21-16;;/h2-7,10,13,20H,8-9,11-12H2,1H3,(H,22,25)(H,21,23,24);2*1H
InChIKeyKCKYIVROUUKRBC-UHFFFAOYSA-N
MW427.33 g/mol
LogP2.88
Rot. Bonds5

About 4-methoxy-N-[3-(pyridin-2-ylcarbamoyl)phenyl]piperidine-4-carboxamide;dihydrochloride

4-methoxy-N-[3-(pyridin-2-ylcarbamoyl)phenyl]piperidine-4-carboxamide;dihydrochloride (PubChem CID 119870520) has the molecular formula C19H24Cl2N4O3 and a molecular weight of 427.33 g/mol. Its IUPAC name is 4-methoxy-N-[3-(pyridin-2-ylcarbamoyl)phenyl]piperidine-4-carboxamide;dihydrochloride.

Molecular Properties

Compound Name4-methoxy-N-[3-(pyridin-2-ylcarbamoyl)phenyl]piperidine-4-carboxamide;dihydrochloride
PubChem CID119870520
Molecular FormulaC19H24Cl2N4O3
Molecular Weight427.33 g/mol
Exact Mass426.12
IUPAC Name4-methoxy-N-[3-(pyridin-2-ylcarbamoyl)phenyl]piperidine-4-carboxamide;dihydrochloride
SMILESCOC1(C(=O)Nc2cccc(C(=O)Nc3ccccn3)c2)CCNCC1.Cl.Cl
InChIInChI=1S/C19H22N4O3.2ClH/c1-26-19(8-11-20-12-9-19)18(25)22-15-6-4-5-14(13-15)17(24)23-16-7-2-3-10-21-16;;/h2-7,10,13,20H,8-9,11-12H2,1H3,(H,22,25)(H,21,23,24);2*1H
InChIKeyKCKYIVROUUKRBC-UHFFFAOYSA-N
XLogP2.88
TPSA92.35 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.33
LogP ≤ 52.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

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4-methoxy-N-[4-(phenylcarbamoyl)phenyl]piperidine-4-carboxamide
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N-(6-anilino-3-pyridinyl)-4-methoxypiperidine-4-carboxamide;dihydrochloride
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4-methoxy-N-[4-(phenylcarbamoylamino)phenyl]piperidine-4-carboxamide;hydrochloride
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CID 3548444
N-[3-(cyclopropanecarbonylamino)phenyl]-4-methoxypiperidine-4-carboxamide
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CID 119751959

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[3-(pyridin-2-ylcarbamoyl)phenyl]piperidine-4-carboxamide;dihydrochloride?
The IUPAC name of 4-methoxy-N-[3-(pyridin-2-ylcarbamoyl)phenyl]piperidine-4-carboxamide;dihydrochloride (CID 119870520) is 4-methoxy-N-[3-(pyridin-2-ylcarbamoyl)phenyl]piperidine-4-carboxamide;dihydrochloride.
What is the SMILES notation for 4-methoxy-N-[3-(pyridin-2-ylcarbamoyl)phenyl]piperidine-4-carboxamide;dihydrochloride?
The canonical SMILES for 4-methoxy-N-[3-(pyridin-2-ylcarbamoyl)phenyl]piperidine-4-carboxamide;dihydrochloride is COC1(C(=O)Nc2cccc(C(=O)Nc3ccccn3)c2)CCNCC1.Cl.Cl.
What is the InChIKey of 4-methoxy-N-[3-(pyridin-2-ylcarbamoyl)phenyl]piperidine-4-carboxamide;dihydrochloride?
The InChIKey is KCKYIVROUUKRBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O3.2ClH/c1-26-19(8-11-20-12-9-19)18(25)22-15-6-4-5-14(13-15)17(24)23-16-7-2-3-10-21-16;;/h2-7,10,13,20H,8-9,11-12H2,1H3,(H,22,25)(H,21,23,24);2*1H.
What are the key properties of 4-methoxy-N-[3-(pyridin-2-ylcarbamoyl)phenyl]piperidine-4-carboxamide;dihydrochloride?
4-methoxy-N-[3-(pyridin-2-ylcarbamoyl)phenyl]piperidine-4-carboxamide;dihydrochloride has a molecular weight of 427.33 g/mol, XLogP of 2.88, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[3-(pyridin-2-ylcarbamoyl)phenyl]piperidine-4-carboxamide;dihydrochloride is sourced from PubChem (CID 119870520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).