N-(3-chloro-4-methoxyphenyl)-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide

C18H21ClN4O3 — CID 66796493

IUPACN-(3-chloro-4-methoxyphenyl)-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide
SMILESCOc1ccc(NC(=O)N2CCNCC2COc2cccnc2)cc1Cl
InChIInChI=1S/C18H21ClN4O3/c1-25-17-5-4-13(9-16(17)19)22-18(24)23-8-7-21-10-14(23)12-26-15-3-2-6-20-11-15/h2-6,9,11,14,21H,7-8,10,12H2,1H3,(H,22,24)
InChIKeyRTOXKFXUENENCI-UHFFFAOYSA-N
MW376.84 g/mol
LogP2.63
Rot. Bonds5

About N-(3-chloro-4-methoxyphenyl)-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide

N-(3-chloro-4-methoxyphenyl)-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide (PubChem CID 66796493) has the molecular formula C18H21ClN4O3 and a molecular weight of 376.84 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide
PubChem CID66796493
Molecular FormulaC18H21ClN4O3
Molecular Weight376.84 g/mol
Exact Mass376.13
IUPAC NameN-(3-chloro-4-methoxyphenyl)-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide
SMILESCOc1ccc(NC(=O)N2CCNCC2COc2cccnc2)cc1Cl
InChIInChI=1S/C18H21ClN4O3/c1-25-17-5-4-13(9-16(17)19)22-18(24)23-8-7-21-10-14(23)12-26-15-3-2-6-20-11-15/h2-6,9,11,14,21H,7-8,10,12H2,1H3,(H,22,24)
InChIKeyRTOXKFXUENENCI-UHFFFAOYSA-N
XLogP2.63
TPSA75.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.84
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,4-dichlorophenyl)-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide;hydrochloride
CID 90643565
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-(4-phenoxyphenyl)-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide;dihydrochloride
CID 66797636
N-(2-methyl-1,3-benzothiazol-5-yl)-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide
CID 59671498
N-(4-benzoylphenyl)-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide;dihydrochloride
CID 66797042
N-[(3-methoxyphenyl)methyl]-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide;dihydrochloride
CID 66797153
N-(2-fluorophenyl)-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide
CID 66796663
(2-chlorophenyl) 2-(pyridin-3-yloxymethyl)piperazine-1-carboxylate
CID 24878113
2-[(4-chlorophenoxy)methyl]-N-(4-methoxyphenyl)piperazine-1-carboxamide
CID 24877661
2-[(3-fluorophenoxy)methyl]-N-(4-methoxyphenyl)piperazine-1-carboxamide;hydrochloride
CID 66796722

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide (CID 66796493) is N-(3-chloro-4-methoxyphenyl)-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide is COc1ccc(NC(=O)N2CCNCC2COc2cccnc2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide?
The InChIKey is RTOXKFXUENENCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN4O3/c1-25-17-5-4-13(9-16(17)19)22-18(24)23-8-7-21-10-14(23)12-26-15-3-2-6-20-11-15/h2-6,9,11,14,21H,7-8,10,12H2,1H3,(H,22,24).
What are the key properties of N-(3-chloro-4-methoxyphenyl)-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide?
N-(3-chloro-4-methoxyphenyl)-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide has a molecular weight of 376.84 g/mol, XLogP of 2.63, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide is sourced from PubChem (CID 66796493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).