N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-4-methoxypiperidine-4-carboxamide;dihydrochloride

C18H26Cl2N4O2 — CID 119838766

IUPACN-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-4-methoxypiperidine-4-carboxamide;dihydrochloride
SMILESCOC1(C(=O)NCc2ccccc2Cn2ccnc2)CCNCC1.Cl.Cl
InChIInChI=1S/C18H24N4O2.2ClH/c1-24-18(6-8-19-9-7-18)17(23)21-12-15-4-2-3-5-16(15)13-22-11-10-20-14-22;;/h2-5,10-11,14,19H,6-9,12-13H2,1H3,(H,21,23);2*1H
InChIKeyCKXAIONGJWOYRR-UHFFFAOYSA-N
MW401.34 g/mol
LogP2.16
Rot. Bonds6

About N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-4-methoxypiperidine-4-carboxamide;dihydrochloride

N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-4-methoxypiperidine-4-carboxamide;dihydrochloride (PubChem CID 119838766) has the molecular formula C18H26Cl2N4O2 and a molecular weight of 401.34 g/mol. Its IUPAC name is N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-4-methoxypiperidine-4-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-4-methoxypiperidine-4-carboxamide;dihydrochloride
PubChem CID119838766
Molecular FormulaC18H26Cl2N4O2
Molecular Weight401.34 g/mol
Exact Mass400.14
IUPAC NameN-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-4-methoxypiperidine-4-carboxamide;dihydrochloride
SMILESCOC1(C(=O)NCc2ccccc2Cn2ccnc2)CCNCC1.Cl.Cl
InChIInChI=1S/C18H24N4O2.2ClH/c1-24-18(6-8-19-9-7-18)17(23)21-12-15-4-2-3-5-16(15)13-22-11-10-20-14-22;;/h2-5,10-11,14,19H,6-9,12-13H2,1H3,(H,21,23);2*1H
InChIKeyCKXAIONGJWOYRR-UHFFFAOYSA-N
XLogP2.16
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.34
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-methoxy-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]piperidine-4-carboxamide
CID 119846798
N-[[2-(ethoxymethyl)phenyl]methyl]-4-methoxypiperidine-4-carboxamide;hydrochloride
CID 119718350
4-methoxy-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide;hydrochloride
CID 119705514
4-methoxy-N-[(4-pyrazol-1-ylphenyl)methyl]piperidine-4-carboxamide;hydrochloride
CID 119725285
N-[[2-[(2-chlorophenoxy)methyl]phenyl]methyl]-4-methoxypiperidine-4-carboxamide;hydrochloride
CID 119800235
4-methoxy-N-[(2-morpholin-4-ylphenyl)methyl]piperidine-4-carboxamide;dihydrochloride
CID 119853784
N-[(2,3-dimethoxyphenyl)methyl]-4-methoxypiperidine-4-carboxamide;hydrochloride
CID 119708894
N-(1-imidazol-1-ylpropan-2-yl)-4-methoxypiperidine-4-carboxamide
CID 119856882
methyl 2-[2-(imidazol-1-ylmethyl)phenyl]acetate
CID 70825151
N-[[2-(difluoromethoxy)phenyl]methyl]-4-methoxypiperidine-4-carboxamide
CID 119700383
4-methoxy-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]piperidine-4-carboxamide
CID 119755232
N-[(2,3-dimethoxyphenyl)methyl]-4-methoxypiperidine-4-carboxamide
CID 119708895

Frequently Asked Questions

What is the IUPAC name of N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-4-methoxypiperidine-4-carboxamide;dihydrochloride?
The IUPAC name of N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-4-methoxypiperidine-4-carboxamide;dihydrochloride (CID 119838766) is N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-4-methoxypiperidine-4-carboxamide;dihydrochloride.
What is the SMILES notation for N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-4-methoxypiperidine-4-carboxamide;dihydrochloride?
The canonical SMILES for N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-4-methoxypiperidine-4-carboxamide;dihydrochloride is COC1(C(=O)NCc2ccccc2Cn2ccnc2)CCNCC1.Cl.Cl.
What is the InChIKey of N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-4-methoxypiperidine-4-carboxamide;dihydrochloride?
The InChIKey is CKXAIONGJWOYRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2.2ClH/c1-24-18(6-8-19-9-7-18)17(23)21-12-15-4-2-3-5-16(15)13-22-11-10-20-14-22;;/h2-5,10-11,14,19H,6-9,12-13H2,1H3,(H,21,23);2*1H.
What are the key properties of N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-4-methoxypiperidine-4-carboxamide;dihydrochloride?
N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-4-methoxypiperidine-4-carboxamide;dihydrochloride has a molecular weight of 401.34 g/mol, XLogP of 2.16, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-4-methoxypiperidine-4-carboxamide;dihydrochloride is sourced from PubChem (CID 119838766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).