N-(1-benzylpiperidin-4-yl)-4-methoxy-N-methylpiperidine-4-carboxamide;dihydrochloride

C20H33Cl2N3O2 — CID 119878310

IUPACN-(1-benzylpiperidin-4-yl)-4-methoxy-N-methylpiperidine-4-carboxamide;dihydrochloride
SMILESCOC1(C(=O)N(C)C2CCN(Cc3ccccc3)CC2)CCNCC1.Cl.Cl
InChIInChI=1S/C20H31N3O2.2ClH/c1-22(19(24)20(25-2)10-12-21-13-11-20)18-8-14-23(15-9-18)16-17-6-4-3-5-7-17;;/h3-7,18,21H,8-16H2,1-2H3;2*1H
InChIKeyWODXZEOWJOMNPI-UHFFFAOYSA-N
MW418.41 g/mol
LogP2.72
Rot. Bonds5

About N-(1-benzylpiperidin-4-yl)-4-methoxy-N-methylpiperidine-4-carboxamide;dihydrochloride

N-(1-benzylpiperidin-4-yl)-4-methoxy-N-methylpiperidine-4-carboxamide;dihydrochloride (PubChem CID 119878310) has the molecular formula C20H33Cl2N3O2 and a molecular weight of 418.41 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-4-methoxy-N-methylpiperidine-4-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-4-methoxy-N-methylpiperidine-4-carboxamide;dihydrochloride
PubChem CID119878310
Molecular FormulaC20H33Cl2N3O2
Molecular Weight418.41 g/mol
Exact Mass417.19
IUPAC NameN-(1-benzylpiperidin-4-yl)-4-methoxy-N-methylpiperidine-4-carboxamide;dihydrochloride
SMILESCOC1(C(=O)N(C)C2CCN(Cc3ccccc3)CC2)CCNCC1.Cl.Cl
InChIInChI=1S/C20H31N3O2.2ClH/c1-22(19(24)20(25-2)10-12-21-13-11-20)18-8-14-23(15-9-18)16-17-6-4-3-5-7-17;;/h3-7,18,21H,8-16H2,1-2H3;2*1H
InChIKeyWODXZEOWJOMNPI-UHFFFAOYSA-N
XLogP2.72
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.41
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-benzyl-2-methylpiperidin-4-yl)-4-methoxy-N-methylpiperidine-4-carboxamide;dihydrochloride
CID 119883087
1-amino-N-(1-benzylpiperidin-4-yl)-N-methylcyclopentane-1-carboxamide
CID 119878264
N-(1-benzylpiperidin-4-yl)-N-methylcarbamoyl chloride
CID 82379735
2-(4-benzylpiperazin-1-yl)-N-methyl-N-piperidin-4-ylacetamide
CID 119441700
4-(aminomethyl)-N-(1-benzylpiperidin-4-yl)-N-methyloxane-4-carboxamide
CID 120941164
3-amino-N-(1-benzylpiperidin-4-yl)-N-methylpropanamide;dihydrochloride
CID 119878325
(2S)-2-amino-N-(1-benzylpiperidin-4-yl)-N-methylpropanamide;dihydrochloride
CID 119878304
4-methoxy-N-methyl-N-(1-pyridazin-3-ylpiperidin-3-yl)piperidine-4-carboxamide;dihydrochloride
CID 119879691
(2S)-N-(1-benzylpiperidin-4-yl)-N-methylpiperidine-2-carboxamide;dihydrochloride
CID 119878274
N-(1-benzylpiperidin-4-yl)-3-methoxy-N,2-dimethylpropanamide
CID 136525412
4-methoxy-N-[1-(2-phenylethyl)piperidin-4-yl]piperidine-4-carboxamide
CID 119844595
(2S)-2-amino-N-(1-benzylpiperidin-4-yl)-N-methyl-3-phenylpropanamide;dihydrochloride
CID 119878253

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-4-methoxy-N-methylpiperidine-4-carboxamide;dihydrochloride?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-4-methoxy-N-methylpiperidine-4-carboxamide;dihydrochloride (CID 119878310) is N-(1-benzylpiperidin-4-yl)-4-methoxy-N-methylpiperidine-4-carboxamide;dihydrochloride.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-4-methoxy-N-methylpiperidine-4-carboxamide;dihydrochloride?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-4-methoxy-N-methylpiperidine-4-carboxamide;dihydrochloride is COC1(C(=O)N(C)C2CCN(Cc3ccccc3)CC2)CCNCC1.Cl.Cl.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-4-methoxy-N-methylpiperidine-4-carboxamide;dihydrochloride?
The InChIKey is WODXZEOWJOMNPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O2.2ClH/c1-22(19(24)20(25-2)10-12-21-13-11-20)18-8-14-23(15-9-18)16-17-6-4-3-5-7-17;;/h3-7,18,21H,8-16H2,1-2H3;2*1H.
What are the key properties of N-(1-benzylpiperidin-4-yl)-4-methoxy-N-methylpiperidine-4-carboxamide;dihydrochloride?
N-(1-benzylpiperidin-4-yl)-4-methoxy-N-methylpiperidine-4-carboxamide;dihydrochloride has a molecular weight of 418.41 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)-4-methoxy-N-methylpiperidine-4-carboxamide;dihydrochloride is sourced from PubChem (CID 119878310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).