4-methoxy-N-[4-(2-morpholin-4-ylethyl)phenyl]piperidine-4-carboxamide;dihydrochloride

C19H31Cl2N3O3 — CID 119860967

IUPAC4-methoxy-N-[4-(2-morpholin-4-ylethyl)phenyl]piperidine-4-carboxamide;dihydrochloride
SMILESCOC1(C(=O)Nc2ccc(CCN3CCOCC3)cc2)CCNCC1.Cl.Cl
InChIInChI=1S/C19H29N3O3.2ClH/c1-24-19(7-9-20-10-8-19)18(23)21-17-4-2-16(3-5-17)6-11-22-12-14-25-15-13-22;;/h2-5,20H,6-15H2,1H3,(H,21,23);2*1H
InChIKeyOBJGUZDYILCDBN-UHFFFAOYSA-N
MW420.38 g/mol
LogP2.11
Rot. Bonds6

About 4-methoxy-N-[4-(2-morpholin-4-ylethyl)phenyl]piperidine-4-carboxamide;dihydrochloride

4-methoxy-N-[4-(2-morpholin-4-ylethyl)phenyl]piperidine-4-carboxamide;dihydrochloride (PubChem CID 119860967) has the molecular formula C19H31Cl2N3O3 and a molecular weight of 420.38 g/mol. Its IUPAC name is 4-methoxy-N-[4-(2-morpholin-4-ylethyl)phenyl]piperidine-4-carboxamide;dihydrochloride.

Molecular Properties

Compound Name4-methoxy-N-[4-(2-morpholin-4-ylethyl)phenyl]piperidine-4-carboxamide;dihydrochloride
PubChem CID119860967
Molecular FormulaC19H31Cl2N3O3
Molecular Weight420.38 g/mol
Exact Mass419.17
IUPAC Name4-methoxy-N-[4-(2-morpholin-4-ylethyl)phenyl]piperidine-4-carboxamide;dihydrochloride
SMILESCOC1(C(=O)Nc2ccc(CCN3CCOCC3)cc2)CCNCC1.Cl.Cl
InChIInChI=1S/C19H29N3O3.2ClH/c1-24-19(7-9-20-10-8-19)18(23)21-17-4-2-16(3-5-17)6-11-22-12-14-25-15-13-22;;/h2-5,20H,6-15H2,1H3,(H,21,23);2*1H
InChIKeyOBJGUZDYILCDBN-UHFFFAOYSA-N
XLogP2.11
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.38
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[4-(2-morpholin-4-ylethyl)phenyl]piperidine-4-carboxamide;dihydrochloride?
The IUPAC name of 4-methoxy-N-[4-(2-morpholin-4-ylethyl)phenyl]piperidine-4-carboxamide;dihydrochloride (CID 119860967) is 4-methoxy-N-[4-(2-morpholin-4-ylethyl)phenyl]piperidine-4-carboxamide;dihydrochloride.
What is the SMILES notation for 4-methoxy-N-[4-(2-morpholin-4-ylethyl)phenyl]piperidine-4-carboxamide;dihydrochloride?
The canonical SMILES for 4-methoxy-N-[4-(2-morpholin-4-ylethyl)phenyl]piperidine-4-carboxamide;dihydrochloride is COC1(C(=O)Nc2ccc(CCN3CCOCC3)cc2)CCNCC1.Cl.Cl.
What is the InChIKey of 4-methoxy-N-[4-(2-morpholin-4-ylethyl)phenyl]piperidine-4-carboxamide;dihydrochloride?
The InChIKey is OBJGUZDYILCDBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O3.2ClH/c1-24-19(7-9-20-10-8-19)18(23)21-17-4-2-16(3-5-17)6-11-22-12-14-25-15-13-22;;/h2-5,20H,6-15H2,1H3,(H,21,23);2*1H.
What are the key properties of 4-methoxy-N-[4-(2-morpholin-4-ylethyl)phenyl]piperidine-4-carboxamide;dihydrochloride?
4-methoxy-N-[4-(2-morpholin-4-ylethyl)phenyl]piperidine-4-carboxamide;dihydrochloride has a molecular weight of 420.38 g/mol, XLogP of 2.11, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[4-(2-morpholin-4-ylethyl)phenyl]piperidine-4-carboxamide;dihydrochloride is sourced from PubChem (CID 119860967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).