4-methoxy-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]piperidine-4-carboxamide;dihydrochloride

C20H33Cl2N3O2 — CID 119836245

IUPAC4-methoxy-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]piperidine-4-carboxamide;dihydrochloride
SMILESCOC1(C(=O)NCc2ccc(CN3CCCCC3)cc2)CCNCC1.Cl.Cl
InChIInChI=1S/C20H31N3O2.2ClH/c1-25-20(9-11-21-12-10-20)19(24)22-15-17-5-7-18(8-6-17)16-23-13-3-2-4-14-23;;/h5-8,21H,2-4,9-16H2,1H3,(H,22,24);2*1H
InChIKeySYVAXOSOVWYPEA-UHFFFAOYSA-N
MW418.41 g/mol
LogP2.90
Rot. Bonds6

About 4-methoxy-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]piperidine-4-carboxamide;dihydrochloride

4-methoxy-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]piperidine-4-carboxamide;dihydrochloride (PubChem CID 119836245) has the molecular formula C20H33Cl2N3O2 and a molecular weight of 418.41 g/mol. Its IUPAC name is 4-methoxy-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]piperidine-4-carboxamide;dihydrochloride.

Molecular Properties

Compound Name4-methoxy-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]piperidine-4-carboxamide;dihydrochloride
PubChem CID119836245
Molecular FormulaC20H33Cl2N3O2
Molecular Weight418.41 g/mol
Exact Mass417.19
IUPAC Name4-methoxy-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]piperidine-4-carboxamide;dihydrochloride
SMILESCOC1(C(=O)NCc2ccc(CN3CCCCC3)cc2)CCNCC1.Cl.Cl
InChIInChI=1S/C20H31N3O2.2ClH/c1-25-20(9-11-21-12-10-20)19(24)22-15-17-5-7-18(8-6-17)16-23-13-3-2-4-14-23;;/h5-8,21H,2-4,9-16H2,1H3,(H,22,24);2*1H
InChIKeySYVAXOSOVWYPEA-UHFFFAOYSA-N
XLogP2.90
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.41
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-N-[[4-(2-pyrrolidin-1-ylethylcarbamoyl)phenyl]methyl]piperidine-4-carboxamide
CID 119882002
N-[(4-chlorophenyl)methyl]-4-methoxypiperidine-4-carboxamide
CID 119669752
4-methoxy-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]piperidine-4-carboxamide;dihydrochloride
CID 119847386
4-methoxy-N-[[4-(methylcarbamoyl)phenyl]methyl]piperidine-4-carboxamide;hydrochloride
CID 119712888
N-[[4-(ethoxymethyl)phenyl]methyl]-4-methoxypiperidine-4-carboxamide;hydrochloride
CID 119718289
4-methoxy-N-[(4-propan-2-ylphenyl)methyl]piperidine-4-carboxamide
CID 119716391
4-methoxy-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]piperidine-4-carboxamide
CID 119694528
ethyl 4-[[(4-methoxypiperidine-4-carbonyl)amino]methyl]benzoate;hydrochloride
CID 119746522
4-methoxy-N-[(4-pyrazol-1-ylphenyl)methyl]piperidine-4-carboxamide;hydrochloride
CID 119725285
1-amino-N-[[4-(azepan-1-ylmethyl)phenyl]methyl]cyclohexane-1-carboxamide;dihydrochloride
CID 119867290
N-[[4-(4-fluorophenoxy)phenyl]methyl]-4-methoxypiperidine-4-carboxamide
CID 119696231
1-amino-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]cyclohexane-1-carboxamide
CID 119835798

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]piperidine-4-carboxamide;dihydrochloride?
The IUPAC name of 4-methoxy-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]piperidine-4-carboxamide;dihydrochloride (CID 119836245) is 4-methoxy-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]piperidine-4-carboxamide;dihydrochloride.
What is the SMILES notation for 4-methoxy-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]piperidine-4-carboxamide;dihydrochloride?
The canonical SMILES for 4-methoxy-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]piperidine-4-carboxamide;dihydrochloride is COC1(C(=O)NCc2ccc(CN3CCCCC3)cc2)CCNCC1.Cl.Cl.
What is the InChIKey of 4-methoxy-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]piperidine-4-carboxamide;dihydrochloride?
The InChIKey is SYVAXOSOVWYPEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O2.2ClH/c1-25-20(9-11-21-12-10-20)19(24)22-15-17-5-7-18(8-6-17)16-23-13-3-2-4-14-23;;/h5-8,21H,2-4,9-16H2,1H3,(H,22,24);2*1H.
What are the key properties of 4-methoxy-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]piperidine-4-carboxamide;dihydrochloride?
4-methoxy-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]piperidine-4-carboxamide;dihydrochloride has a molecular weight of 418.41 g/mol, XLogP of 2.90, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]piperidine-4-carboxamide;dihydrochloride is sourced from PubChem (CID 119836245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).