N-(3-chloro-2-propoxyphenyl)-2-(3-oxo-1-propan-2-ylpiperazin-2-yl)acetamide

C18H26ClN3O3 — CID 131942501

IUPACN-(3-chloro-2-propoxyphenyl)-2-(3-oxo-1-propan-2-ylpiperazin-2-yl)acetamide
SMILESCCCOc1c(Cl)cccc1NC(=O)CC1C(=O)NCCN1C(C)C
InChIInChI=1S/C18H26ClN3O3/c1-4-10-25-17-13(19)6-5-7-14(17)21-16(23)11-15-18(24)20-8-9-22(15)12(2)3/h5-7,12,15H,4,8-11H2,1-3H3,(H,20,24)(H,21,23)
InChIKeyYIEMOOKTMAKNQS-UHFFFAOYSA-N
MW367.88 g/mol
LogP2.67
Rot. Bonds7

About N-(3-chloro-2-propoxyphenyl)-2-(3-oxo-1-propan-2-ylpiperazin-2-yl)acetamide

N-(3-chloro-2-propoxyphenyl)-2-(3-oxo-1-propan-2-ylpiperazin-2-yl)acetamide (PubChem CID 131942501) has the molecular formula C18H26ClN3O3 and a molecular weight of 367.88 g/mol. Its IUPAC name is N-(3-chloro-2-propoxyphenyl)-2-(3-oxo-1-propan-2-ylpiperazin-2-yl)acetamide.

Molecular Properties

Compound NameN-(3-chloro-2-propoxyphenyl)-2-(3-oxo-1-propan-2-ylpiperazin-2-yl)acetamide
PubChem CID131942501
Molecular FormulaC18H26ClN3O3
Molecular Weight367.88 g/mol
Exact Mass367.17
IUPAC NameN-(3-chloro-2-propoxyphenyl)-2-(3-oxo-1-propan-2-ylpiperazin-2-yl)acetamide
SMILESCCCOc1c(Cl)cccc1NC(=O)CC1C(=O)NCCN1C(C)C
InChIInChI=1S/C18H26ClN3O3/c1-4-10-25-17-13(19)6-5-7-14(17)21-16(23)11-15-18(24)20-8-9-22(15)12(2)3/h5-7,12,15H,4,8-11H2,1-3H3,(H,20,24)(H,21,23)
InChIKeyYIEMOOKTMAKNQS-UHFFFAOYSA-N
XLogP2.67
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.88
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chloro-2-propoxyphenyl)-2-(1,3-dimethyl-2,5-dioxoimidazolidin-4-yl)acetamide
CID 131920491
N-[(2,6-dimethoxyphenyl)methyl]-2-[(2R)-3-oxo-1-propan-2-ylpiperazin-2-yl]acetamide
CID 42241907
methyl 2-methyl-2-[[2-[(2S)-3-oxo-1-propan-2-ylpiperazin-2-yl]acetyl]amino]propanoate
CID 95124713
2-[1-[1-(2-chlorophenyl)ethyl]-3-oxopiperazin-2-yl]acetic acid
CID 65071303
N-[4-(1-methylpiperidin-4-yl)oxyphenyl]-2-(3-oxo-1-propan-2-ylpiperazin-2-yl)acetamide
CID 131929315
(2R)-2-[2-(2-chloroanilino)-2-oxoethyl]-N-cyclohexyl-3-oxopiperazine-1-carboxamide
CID 41281654
2-[(2S)-3-oxo-1-propan-2-ylpiperazin-2-yl]-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]acetamide
CID 95132319
N-[2-(2-methoxynaphthalen-1-yl)ethyl]-2-[(2R)-3-oxo-1-propan-2-ylpiperazin-2-yl]acetamide
CID 95132204
N-(2-chlorophenyl)-2-[(2S)-1-[2-(4-methylpiperazin-1-yl)acetyl]-3-oxopiperazin-2-yl]acetamide
CID 29045076
2-[(2S)-3-oxo-1-propan-2-ylpiperazin-2-yl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide
CID 137098586
propyl 2-[1-[2-(2,4-dichloroanilino)-2-oxoethyl]-3-oxopiperazin-2-yl]acetate
CID 54819553
N-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]-2-[(2S)-3-oxo-1-propan-2-ylpiperazin-2-yl]acetamide
CID 95126653

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-propoxyphenyl)-2-(3-oxo-1-propan-2-ylpiperazin-2-yl)acetamide?
The IUPAC name of N-(3-chloro-2-propoxyphenyl)-2-(3-oxo-1-propan-2-ylpiperazin-2-yl)acetamide (CID 131942501) is N-(3-chloro-2-propoxyphenyl)-2-(3-oxo-1-propan-2-ylpiperazin-2-yl)acetamide.
What is the SMILES notation for N-(3-chloro-2-propoxyphenyl)-2-(3-oxo-1-propan-2-ylpiperazin-2-yl)acetamide?
The canonical SMILES for N-(3-chloro-2-propoxyphenyl)-2-(3-oxo-1-propan-2-ylpiperazin-2-yl)acetamide is CCCOc1c(Cl)cccc1NC(=O)CC1C(=O)NCCN1C(C)C.
What is the InChIKey of N-(3-chloro-2-propoxyphenyl)-2-(3-oxo-1-propan-2-ylpiperazin-2-yl)acetamide?
The InChIKey is YIEMOOKTMAKNQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26ClN3O3/c1-4-10-25-17-13(19)6-5-7-14(17)21-16(23)11-15-18(24)20-8-9-22(15)12(2)3/h5-7,12,15H,4,8-11H2,1-3H3,(H,20,24)(H,21,23).
What are the key properties of N-(3-chloro-2-propoxyphenyl)-2-(3-oxo-1-propan-2-ylpiperazin-2-yl)acetamide?
N-(3-chloro-2-propoxyphenyl)-2-(3-oxo-1-propan-2-ylpiperazin-2-yl)acetamide has a molecular weight of 367.88 g/mol, XLogP of 2.67, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-propoxyphenyl)-2-(3-oxo-1-propan-2-ylpiperazin-2-yl)acetamide is sourced from PubChem (CID 131942501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).