methyl 2-[4-[(4-chlorophenyl)carbamoyl]piperazin-1-yl]acetate

C14H18ClN3O3 — CID 17478962

IUPACmethyl 2-[4-[(4-chlorophenyl)carbamoyl]piperazin-1-yl]acetate
SMILESCOC(=O)CN1CCN(C(=O)Nc2ccc(Cl)cc2)CC1
InChIInChI=1S/C14H18ClN3O3/c1-21-13(19)10-17-6-8-18(9-7-17)14(20)16-12-4-2-11(15)3-5-12/h2-5H,6-10H2,1H3,(H,16,20)
InChIKeyPAUZACACAMPYKX-UHFFFAOYSA-N
MW311.77 g/mol
LogP1.66
Rot. Bonds3

About methyl 2-[4-[(4-chlorophenyl)carbamoyl]piperazin-1-yl]acetate

methyl 2-[4-[(4-chlorophenyl)carbamoyl]piperazin-1-yl]acetate (PubChem CID 17478962) has the molecular formula C14H18ClN3O3 and a molecular weight of 311.77 g/mol. Its IUPAC name is methyl 2-[4-[(4-chlorophenyl)carbamoyl]piperazin-1-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-[(4-chlorophenyl)carbamoyl]piperazin-1-yl]acetate
PubChem CID17478962
Molecular FormulaC14H18ClN3O3
Molecular Weight311.77 g/mol
Exact Mass311.10
IUPAC Namemethyl 2-[4-[(4-chlorophenyl)carbamoyl]piperazin-1-yl]acetate
SMILESCOC(=O)CN1CCN(C(=O)Nc2ccc(Cl)cc2)CC1
InChIInChI=1S/C14H18ClN3O3/c1-21-13(19)10-17-6-8-18(9-7-17)14(20)16-12-4-2-11(15)3-5-12/h2-5H,6-10H2,1H3,(H,16,20)
InChIKeyPAUZACACAMPYKX-UHFFFAOYSA-N
XLogP1.66
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.77
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(4-chlorophenyl)methyl]-N-(4-methoxyphenyl)piperazine-1-carboxamide
CID 6470831
methyl 2-[4-[(3-chloro-4-propan-2-yloxyphenyl)carbamoyl]piperazin-1-yl]acetate
CID 99795763
methyl 2-[4-[(2,4-dichlorophenyl)carbamoyl]-1,4-diazepan-1-yl]acetate
CID 78896636
N-(4-chlorophenyl)-4-(cyanomethyl)piperazine-1-carboxamide
CID 60970982
4-[(4-chlorophenyl)methyl]-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide
CID 113107881
4-[2-(4-chlorophenyl)ethyl]-N-(4-methylphenyl)piperazine-1-carboxamide
CID 113109898
4-[(4-chlorophenyl)methyl]-N-(4-ethoxyphenyl)piperazine-1-carboxamide
CID 6470193
N-(4-chlorophenyl)-4-[(3-fluoro-4-methoxyphenyl)methyl]piperazine-1-carboxamide
CID 31773245
N-(4-chlorophenyl)-4-[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]piperazine-1-carboxamide
CID 75375800
N-(4-chlorophenyl)-4-[(2-chlorophenyl)methyl]piperazine-1-carboxamide
CID 19293497
N-(4-chlorophenyl)-4-[(5-methylfuran-2-yl)methyl]piperazine-1-carboxamide
CID 17126963
methyl 2-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]acetate
CID 47014080

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-[(4-chlorophenyl)carbamoyl]piperazin-1-yl]acetate?
The IUPAC name of methyl 2-[4-[(4-chlorophenyl)carbamoyl]piperazin-1-yl]acetate (CID 17478962) is methyl 2-[4-[(4-chlorophenyl)carbamoyl]piperazin-1-yl]acetate.
What is the SMILES notation for methyl 2-[4-[(4-chlorophenyl)carbamoyl]piperazin-1-yl]acetate?
The canonical SMILES for methyl 2-[4-[(4-chlorophenyl)carbamoyl]piperazin-1-yl]acetate is COC(=O)CN1CCN(C(=O)Nc2ccc(Cl)cc2)CC1.
What is the InChIKey of methyl 2-[4-[(4-chlorophenyl)carbamoyl]piperazin-1-yl]acetate?
The InChIKey is PAUZACACAMPYKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3O3/c1-21-13(19)10-17-6-8-18(9-7-17)14(20)16-12-4-2-11(15)3-5-12/h2-5H,6-10H2,1H3,(H,16,20).
What are the key properties of methyl 2-[4-[(4-chlorophenyl)carbamoyl]piperazin-1-yl]acetate?
methyl 2-[4-[(4-chlorophenyl)carbamoyl]piperazin-1-yl]acetate has a molecular weight of 311.77 g/mol, XLogP of 1.66, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-[(4-chlorophenyl)carbamoyl]piperazin-1-yl]acetate is sourced from PubChem (CID 17478962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).