N-[(3-methoxyphenyl)methyl]-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide;dihydrochloride

C19H26Cl2N4O3 — CID 66797153

IUPACN-[(3-methoxyphenyl)methyl]-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide;dihydrochloride
SMILESCOc1cccc(CNC(=O)N2CCNCC2COc2cccnc2)c1.Cl.Cl
InChIInChI=1S/C19H24N4O3.2ClH/c1-25-17-5-2-4-15(10-17)11-22-19(24)23-9-8-21-12-16(23)14-26-18-6-3-7-20-13-18;;/h2-7,10,13,16,21H,8-9,11-12,14H2,1H3,(H,22,24);2*1H
InChIKeyNMKAFQGAYNBRRV-UHFFFAOYSA-N
MW429.35 g/mol
LogP2.50
Rot. Bonds6

About N-[(3-methoxyphenyl)methyl]-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide;dihydrochloride

N-[(3-methoxyphenyl)methyl]-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide;dihydrochloride (PubChem CID 66797153) has the molecular formula C19H26Cl2N4O3 and a molecular weight of 429.35 g/mol. Its IUPAC name is N-[(3-methoxyphenyl)methyl]-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-[(3-methoxyphenyl)methyl]-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide;dihydrochloride
PubChem CID66797153
Molecular FormulaC19H26Cl2N4O3
Molecular Weight429.35 g/mol
Exact Mass428.14
IUPAC NameN-[(3-methoxyphenyl)methyl]-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide;dihydrochloride
SMILESCOc1cccc(CNC(=O)N2CCNCC2COc2cccnc2)c1.Cl.Cl
InChIInChI=1S/C19H24N4O3.2ClH/c1-25-17-5-2-4-15(10-17)11-22-19(24)23-9-8-21-12-16(23)14-26-18-6-3-7-20-13-18;;/h2-7,10,13,16,21H,8-9,11-12,14H2,1H3,(H,22,24);2*1H
InChIKeyNMKAFQGAYNBRRV-UHFFFAOYSA-N
XLogP2.50
TPSA75.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.35
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-methoxyphenyl)-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide
CID 24878344
N-[4-(4-methoxyphenyl)phenyl]-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide
CID 24878565
N-(2-methoxyphenyl)-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide
CID 24878232
N-(3-chloro-4-methoxyphenyl)-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide
CID 66796493
N-(3,4-dichlorophenyl)-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide;hydrochloride
CID 90643565
[5-(4-methoxyphenyl)furan-2-yl]-[(2R)-2-(pyridin-3-yloxymethyl)piperazin-1-yl]methanone;dihydrochloride
CID 66797003
N-(4-phenoxyphenyl)-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide;dihydrochloride
CID 66797636
N-(4-phenylphenyl)-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide;hydrochloride
CID 90643580
phenyl 2-(pyridin-3-yloxymethyl)piperazine-1-carboxylate;hydrochloride
CID 90643561
N-(2-fluorophenyl)-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide
CID 66796663
N-(4-benzoylphenyl)-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide;dihydrochloride
CID 66797042
2-phenoxy-1-[2-(pyridin-3-yloxymethyl)piperazin-1-yl]ethanone
CID 66797340

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxyphenyl)methyl]-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide;dihydrochloride?
The IUPAC name of N-[(3-methoxyphenyl)methyl]-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide;dihydrochloride (CID 66797153) is N-[(3-methoxyphenyl)methyl]-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide;dihydrochloride.
What is the SMILES notation for N-[(3-methoxyphenyl)methyl]-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide;dihydrochloride?
The canonical SMILES for N-[(3-methoxyphenyl)methyl]-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide;dihydrochloride is COc1cccc(CNC(=O)N2CCNCC2COc2cccnc2)c1.Cl.Cl.
What is the InChIKey of N-[(3-methoxyphenyl)methyl]-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide;dihydrochloride?
The InChIKey is NMKAFQGAYNBRRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O3.2ClH/c1-25-17-5-2-4-15(10-17)11-22-19(24)23-9-8-21-12-16(23)14-26-18-6-3-7-20-13-18;;/h2-7,10,13,16,21H,8-9,11-12,14H2,1H3,(H,22,24);2*1H.
What are the key properties of N-[(3-methoxyphenyl)methyl]-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide;dihydrochloride?
N-[(3-methoxyphenyl)methyl]-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide;dihydrochloride has a molecular weight of 429.35 g/mol, XLogP of 2.50, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxyphenyl)methyl]-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide;dihydrochloride is sourced from PubChem (CID 66797153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).