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

C18H21ClN4O3 — CID 140578064

IUPACN-[(3-chloro-4-methoxyphenyl)-pyridin-3-yloxymethyl]piperazine-1-carboxamide
SMILESCOc1ccc(C(NC(=O)N2CCNCC2)Oc2cccnc2)cc1Cl
InChIInChI=1S/C18H21ClN4O3/c1-25-16-5-4-13(11-15(16)19)17(26-14-3-2-6-21-12-14)22-18(24)23-9-7-20-8-10-23/h2-6,11-12,17,20H,7-10H2,1H3,(H,22,24)
InChIKeyYNGNJQJRGQSGPH-UHFFFAOYSA-N
MW376.84 g/mol
LogP2.44
Rot. Bonds5

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

N-[(3-chloro-4-methoxyphenyl)-pyridin-3-yloxymethyl]piperazine-1-carboxamide (PubChem CID 140578064) has the molecular formula C18H21ClN4O3 and a molecular weight of 376.84 g/mol. Its IUPAC name is N-[(3-chloro-4-methoxyphenyl)-pyridin-3-yloxymethyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-[(3-chloro-4-methoxyphenyl)-pyridin-3-yloxymethyl]piperazine-1-carboxamide
PubChem CID140578064
Molecular FormulaC18H21ClN4O3
Molecular Weight376.84 g/mol
Exact Mass376.13
IUPAC NameN-[(3-chloro-4-methoxyphenyl)-pyridin-3-yloxymethyl]piperazine-1-carboxamide
SMILESCOc1ccc(C(NC(=O)N2CCNCC2)Oc2cccnc2)cc1Cl
InChIInChI=1S/C18H21ClN4O3/c1-25-16-5-4-13(11-15(16)19)17(26-14-3-2-6-21-12-14)22-18(24)23-9-7-20-8-10-23/h2-6,11-12,17,20H,7-10H2,1H3,(H,22,24)
InChIKeyYNGNJQJRGQSGPH-UHFFFAOYSA-N
XLogP2.44
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 ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-[(3,4-dichlorophenyl)-pyridin-3-yloxymethyl]piperazine-1-carboxamide;dihydrochloride
CID 140578075
N-[(3-fluoro-4-methylphenyl)-pyridin-3-yloxymethyl]piperazine-1-carboxamide
CID 140578150
N-[(4-tert-butylphenyl)-pyridin-3-yloxymethyl]piperazine-1-carboxamide
CID 140578074
N-[(S)-(4-phenoxyphenyl)-pyridin-3-yloxymethyl]piperazine-1-carboxamide
CID 140578097
N-[(S)-(4-phenoxyphenyl)-pyridin-3-yloxymethyl]piperazine-1-carboxamide;dihydrochloride
CID 140578096
N-[[4-(dimethylcarbamoyl)phenyl]-pyridin-3-yloxymethyl]piperazine-1-carboxamide
CID 140578105
N-[(3,4-dichlorophenyl)-[4-(trifluoromethoxy)phenoxy]methyl]piperazine-1-carboxamide
CID 140523911
N-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-pyridin-3-yloxymethyl]piperazine-1-carboxamide
CID 140578045
N-[(5-phenyl-1,3,4-thiadiazol-2-yl)-pyridin-3-yloxymethyl]piperazine-1-carboxamide
CID 140578109
N-(3-chloro-4-methoxyphenyl)-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide
CID 66796493
2-(3-chloro-4-methoxyphenyl)-2-(1,4-diazepan-1-yl)acetic acid
CID 65026467
N-(3-chloro-4-methoxyphenyl)-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide
CID 113108509

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-4-methoxyphenyl)-pyridin-3-yloxymethyl]piperazine-1-carboxamide?
The IUPAC name of N-[(3-chloro-4-methoxyphenyl)-pyridin-3-yloxymethyl]piperazine-1-carboxamide (CID 140578064) is N-[(3-chloro-4-methoxyphenyl)-pyridin-3-yloxymethyl]piperazine-1-carboxamide.
What is the SMILES notation for N-[(3-chloro-4-methoxyphenyl)-pyridin-3-yloxymethyl]piperazine-1-carboxamide?
The canonical SMILES for N-[(3-chloro-4-methoxyphenyl)-pyridin-3-yloxymethyl]piperazine-1-carboxamide is COc1ccc(C(NC(=O)N2CCNCC2)Oc2cccnc2)cc1Cl.
What is the InChIKey of N-[(3-chloro-4-methoxyphenyl)-pyridin-3-yloxymethyl]piperazine-1-carboxamide?
The InChIKey is YNGNJQJRGQSGPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN4O3/c1-25-16-5-4-13(11-15(16)19)17(26-14-3-2-6-21-12-14)22-18(24)23-9-7-20-8-10-23/h2-6,11-12,17,20H,7-10H2,1H3,(H,22,24).
What are the key properties of N-[(3-chloro-4-methoxyphenyl)-pyridin-3-yloxymethyl]piperazine-1-carboxamide?
N-[(3-chloro-4-methoxyphenyl)-pyridin-3-yloxymethyl]piperazine-1-carboxamide has a molecular weight of 376.84 g/mol, XLogP of 2.44, 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)-pyridin-3-yloxymethyl]piperazine-1-carboxamide is sourced from PubChem (CID 140578064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).