2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-N-(3-chlorophenyl)acetamide

C20H29ClN4O2 — CID 34905366

IUPAC2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-N-(3-chlorophenyl)acetamide
SMILESO=C(CN1CCN(CC(=O)N2CCCCCC2)CC1)Nc1cccc(Cl)c1
InChIInChI=1S/C20H29ClN4O2/c21-17-6-5-7-18(14-17)22-19(26)15-23-10-12-24(13-11-23)16-20(27)25-8-3-1-2-4-9-25/h5-7,14H,1-4,8-13,15-16H2,(H,22,26)
InChIKeyGHJZPESDAWHBSU-UHFFFAOYSA-N
MW392.93 g/mol
LogP2.30
Rot. Bonds5

About 2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-N-(3-chlorophenyl)acetamide

2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-N-(3-chlorophenyl)acetamide (PubChem CID 34905366) has the molecular formula C20H29ClN4O2 and a molecular weight of 392.93 g/mol. Its IUPAC name is 2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-N-(3-chlorophenyl)acetamide.

Molecular Properties

Compound Name2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-N-(3-chlorophenyl)acetamide
PubChem CID34905366
Molecular FormulaC20H29ClN4O2
Molecular Weight392.93 g/mol
Exact Mass392.20
IUPAC Name2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-N-(3-chlorophenyl)acetamide
SMILESO=C(CN1CCN(CC(=O)N2CCCCCC2)CC1)Nc1cccc(Cl)c1
InChIInChI=1S/C20H29ClN4O2/c21-17-6-5-7-18(14-17)22-19(26)15-23-10-12-24(13-11-23)16-20(27)25-8-3-1-2-4-9-25/h5-7,14H,1-4,8-13,15-16H2,(H,22,26)
InChIKeyGHJZPESDAWHBSU-UHFFFAOYSA-N
XLogP2.30
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.93
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-N-(3-chlorophenyl)propanamide
CID 55482910
N-(3-chlorophenyl)-2-pyrrolidin-1-ylacetamide;hydrochloride
CID 2917131
3-(azepan-1-yl)-N-(3-chlorophenyl)-3-oxopropanamide
CID 108952689
2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-N-(3-methylphenyl)acetamide
CID 34905400
N-(3-chlorophenyl)-2-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]acetamide
CID 115745385
N-(3-chlorophenyl)-2-(4-formylpiperazin-1-yl)acetamide
CID 108995802
N-(3-chlorophenyl)-2-[(3S)-3-(pyrrolidine-1-carbonyl)piperidin-1-yl]acetamide
CID 95622494
N-(2,3-dichlorophenyl)-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]acetamide
CID 42918042
N-(3-chlorophenyl)-3-piperidin-1-ylpropanamide chloride
CID 53313683
N-(3-chlorophenyl)-2-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]acetamide
CID 22195134
2-[4-(3-chlorophenyl)piperazin-1-yl]-N-phenylacetamide
CID 6467969
2-(azepan-1-yl)-N-(3-chlorophenyl)-2-oxoacetamide
CID 47335488

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-N-(3-chlorophenyl)acetamide?
The IUPAC name of 2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-N-(3-chlorophenyl)acetamide (CID 34905366) is 2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-N-(3-chlorophenyl)acetamide.
What is the SMILES notation for 2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-N-(3-chlorophenyl)acetamide?
The canonical SMILES for 2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-N-(3-chlorophenyl)acetamide is O=C(CN1CCN(CC(=O)N2CCCCCC2)CC1)Nc1cccc(Cl)c1.
What is the InChIKey of 2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-N-(3-chlorophenyl)acetamide?
The InChIKey is GHJZPESDAWHBSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29ClN4O2/c21-17-6-5-7-18(14-17)22-19(26)15-23-10-12-24(13-11-23)16-20(27)25-8-3-1-2-4-9-25/h5-7,14H,1-4,8-13,15-16H2,(H,22,26).
What are the key properties of 2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-N-(3-chlorophenyl)acetamide?
2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-N-(3-chlorophenyl)acetamide has a molecular weight of 392.93 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-N-(3-chlorophenyl)acetamide is sourced from PubChem (CID 34905366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).