methyl 2-[4-[(3-chloro-4-propan-2-yloxyphenyl)carbamoyl]piperazin-1-yl]acetate

C17H24ClN3O4 — CID 99795763

IUPACmethyl 2-[4-[(3-chloro-4-propan-2-yloxyphenyl)carbamoyl]piperazin-1-yl]acetate
SMILESCOC(=O)CN1CCN(C(=O)Nc2ccc(OC(C)C)c(Cl)c2)CC1
InChIInChI=1S/C17H24ClN3O4/c1-12(2)25-15-5-4-13(10-14(15)18)19-17(23)21-8-6-20(7-9-21)11-16(22)24-3/h4-5,10,12H,6-9,11H2,1-3H3,(H,19,23)
InChIKeyHIARDCYVPALSSD-UHFFFAOYSA-N
MW369.85 g/mol
LogP2.45
Rot. Bonds5

About methyl 2-[4-[(3-chloro-4-propan-2-yloxyphenyl)carbamoyl]piperazin-1-yl]acetate

methyl 2-[4-[(3-chloro-4-propan-2-yloxyphenyl)carbamoyl]piperazin-1-yl]acetate (PubChem CID 99795763) has the molecular formula C17H24ClN3O4 and a molecular weight of 369.85 g/mol. Its IUPAC name is methyl 2-[4-[(3-chloro-4-propan-2-yloxyphenyl)carbamoyl]piperazin-1-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-[(3-chloro-4-propan-2-yloxyphenyl)carbamoyl]piperazin-1-yl]acetate
PubChem CID99795763
Molecular FormulaC17H24ClN3O4
Molecular Weight369.85 g/mol
Exact Mass369.15
IUPAC Namemethyl 2-[4-[(3-chloro-4-propan-2-yloxyphenyl)carbamoyl]piperazin-1-yl]acetate
SMILESCOC(=O)CN1CCN(C(=O)Nc2ccc(OC(C)C)c(Cl)c2)CC1
InChIInChI=1S/C17H24ClN3O4/c1-12(2)25-15-5-4-13(10-14(15)18)19-17(23)21-8-6-20(7-9-21)11-16(22)24-3/h4-5,10,12H,6-9,11H2,1-3H3,(H,19,23)
InChIKeyHIARDCYVPALSSD-UHFFFAOYSA-N
XLogP2.45
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.85
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-chloro-4-methoxyphenyl)-4-(2-methylpropyl)piperazine-1-carboxamide
CID 113103998
methyl 2-[4-[(4-chlorophenyl)carbamoyl]piperazin-1-yl]acetate
CID 17478962
N-(3-chloro-4-methoxyphenyl)-4-ethylpiperazine-1-carboxamide
CID 108988526
4-[2-[3-chloro-4-(difluoromethoxy)anilino]-2-oxoethyl]-N,N-dimethylpiperazine-1-carboxamide
CID 55649112
N-(3,4-dichlorophenyl)-4-[2-(2-methylpropylamino)-2-oxoethyl]piperazine-1-carboxamide
CID 17486743
N-(3-chloro-4-propan-2-yloxyphenyl)-2-methoxypropanamide
CID 47306002
N-[3-chloro-4-(2-methoxyethoxy)phenyl]-4-prop-2-ynylpiperazine-1-carboxamide
CID 75393749
N-(3,4-dichlorophenyl)-4-ethylpiperazine-1-carboxamide
CID 1249136
3-(3-chloro-4-propan-2-yloxyanilino)-3-oxopropanoic acid
CID 62231321
methyl 2-[4-[(2,4-dichlorophenyl)carbamoyl]-1,4-diazepan-1-yl]acetate
CID 78896636
2-[[4-[(3-chloro-4-propan-2-yloxyphenyl)carbamoyl]morpholin-2-yl]methyl-methylamino]acetic acid
CID 122075883
ethyl N-(3-chloro-4-propan-2-yloxyphenyl)carbamate
CID 60747816

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-[(3-chloro-4-propan-2-yloxyphenyl)carbamoyl]piperazin-1-yl]acetate?
The IUPAC name of methyl 2-[4-[(3-chloro-4-propan-2-yloxyphenyl)carbamoyl]piperazin-1-yl]acetate (CID 99795763) is methyl 2-[4-[(3-chloro-4-propan-2-yloxyphenyl)carbamoyl]piperazin-1-yl]acetate.
What is the SMILES notation for methyl 2-[4-[(3-chloro-4-propan-2-yloxyphenyl)carbamoyl]piperazin-1-yl]acetate?
The canonical SMILES for methyl 2-[4-[(3-chloro-4-propan-2-yloxyphenyl)carbamoyl]piperazin-1-yl]acetate is COC(=O)CN1CCN(C(=O)Nc2ccc(OC(C)C)c(Cl)c2)CC1.
What is the InChIKey of methyl 2-[4-[(3-chloro-4-propan-2-yloxyphenyl)carbamoyl]piperazin-1-yl]acetate?
The InChIKey is HIARDCYVPALSSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClN3O4/c1-12(2)25-15-5-4-13(10-14(15)18)19-17(23)21-8-6-20(7-9-21)11-16(22)24-3/h4-5,10,12H,6-9,11H2,1-3H3,(H,19,23).
What are the key properties of methyl 2-[4-[(3-chloro-4-propan-2-yloxyphenyl)carbamoyl]piperazin-1-yl]acetate?
methyl 2-[4-[(3-chloro-4-propan-2-yloxyphenyl)carbamoyl]piperazin-1-yl]acetate has a molecular weight of 369.85 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-[(3-chloro-4-propan-2-yloxyphenyl)carbamoyl]piperazin-1-yl]acetate is sourced from PubChem (CID 99795763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).