methyl 4-[(5-chloro-2-methoxyphenyl)carbamoyl]piperazine-1-carboxylate

C14H18ClN3O4 — CID 108875630

IUPACmethyl 4-[(5-chloro-2-methoxyphenyl)carbamoyl]piperazine-1-carboxylate
SMILESCOC(=O)N1CCN(C(=O)Nc2cc(Cl)ccc2OC)CC1
InChIInChI=1S/C14H18ClN3O4/c1-21-12-4-3-10(15)9-11(12)16-13(19)17-5-7-18(8-6-17)14(20)22-2/h3-4,9H,5-8H2,1-2H3,(H,16,19)
InChIKeyAZKBQXHQOHNWQN-UHFFFAOYSA-N
MW327.77 g/mol
LogP2.26
Rot. Bonds2

About methyl 4-[(5-chloro-2-methoxyphenyl)carbamoyl]piperazine-1-carboxylate

methyl 4-[(5-chloro-2-methoxyphenyl)carbamoyl]piperazine-1-carboxylate (PubChem CID 108875630) has the molecular formula C14H18ClN3O4 and a molecular weight of 327.77 g/mol. Its IUPAC name is methyl 4-[(5-chloro-2-methoxyphenyl)carbamoyl]piperazine-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-[(5-chloro-2-methoxyphenyl)carbamoyl]piperazine-1-carboxylate
PubChem CID108875630
Molecular FormulaC14H18ClN3O4
Molecular Weight327.77 g/mol
Exact Mass327.10
IUPAC Namemethyl 4-[(5-chloro-2-methoxyphenyl)carbamoyl]piperazine-1-carboxylate
SMILESCOC(=O)N1CCN(C(=O)Nc2cc(Cl)ccc2OC)CC1
InChIInChI=1S/C14H18ClN3O4/c1-21-12-4-3-10(15)9-11(12)16-13(19)17-5-7-18(8-6-17)14(20)22-2/h3-4,9H,5-8H2,1-2H3,(H,16,19)
InChIKeyAZKBQXHQOHNWQN-UHFFFAOYSA-N
XLogP2.26
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.77
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-chloro-2-methoxyphenyl)-4-(3,4-dimethylphenyl)piperazine-1-carboxamide
CID 113111620
4-benzhydryl-N-(5-chloro-2-methoxyphenyl)piperazine-1-carboxamide
CID 2956120
N-(5-chloro-2-methoxyphenyl)-4-(3-methylbutyl)piperazine-1-carboxamide
CID 17183829
(3R)-N-(5-chloro-2-methoxyphenyl)-3-hydroxypyrrolidine-1-carboxamide
CID 111430962
N-(5-chloro-2-methoxyphenyl)-4-(methoxymethyl)piperidine-1-carboxamide
CID 121091740
4-[bis(4-fluorophenyl)methyl]-N-(5-chloro-2-methoxyphenyl)piperazine-1-carboxamide
CID 4984483
N-(5-chloro-2-methoxyphenyl)-4-(4-nitrophenyl)piperazine-1-carboxamide
CID 3871737
methyl 4-(5-chloro-2-methoxybenzoyl)piperazine-1-carboxylate
CID 110803250
N-(5-chloro-2-methoxyphenyl)-4-(3-phenylpropyl)piperazine-1-carboxamide
CID 113110122
N-(5-chloro-2-methoxyphenyl)-5-oxo-1,4,9-triazaspiro[5.5]undecane-9-carboxamide
CID 56741860
(3S)-1-[(5-chloro-2-methoxyphenyl)carbamoyl]piperidine-3-carboxylic acid
CID 81121106
N-(5-chloro-2-methoxyphenyl)-4-(6-pyrrol-1-ylpyrimidin-4-yl)piperazine-1-carboxamide
CID 122341864

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(5-chloro-2-methoxyphenyl)carbamoyl]piperazine-1-carboxylate?
The IUPAC name of methyl 4-[(5-chloro-2-methoxyphenyl)carbamoyl]piperazine-1-carboxylate (CID 108875630) is methyl 4-[(5-chloro-2-methoxyphenyl)carbamoyl]piperazine-1-carboxylate.
What is the SMILES notation for methyl 4-[(5-chloro-2-methoxyphenyl)carbamoyl]piperazine-1-carboxylate?
The canonical SMILES for methyl 4-[(5-chloro-2-methoxyphenyl)carbamoyl]piperazine-1-carboxylate is COC(=O)N1CCN(C(=O)Nc2cc(Cl)ccc2OC)CC1.
What is the InChIKey of methyl 4-[(5-chloro-2-methoxyphenyl)carbamoyl]piperazine-1-carboxylate?
The InChIKey is AZKBQXHQOHNWQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3O4/c1-21-12-4-3-10(15)9-11(12)16-13(19)17-5-7-18(8-6-17)14(20)22-2/h3-4,9H,5-8H2,1-2H3,(H,16,19).
What are the key properties of methyl 4-[(5-chloro-2-methoxyphenyl)carbamoyl]piperazine-1-carboxylate?
methyl 4-[(5-chloro-2-methoxyphenyl)carbamoyl]piperazine-1-carboxylate has a molecular weight of 327.77 g/mol, XLogP of 2.26, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(5-chloro-2-methoxyphenyl)carbamoyl]piperazine-1-carboxylate is sourced from PubChem (CID 108875630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).