2-[4-[2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]acetyl]piperazin-1-yl]-N-propan-2-ylacetamide

C19H29ClN4O2 — CID 8636098

IUPAC2-[4-[2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]acetyl]piperazin-1-yl]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CN1CCN(C(=O)CN[C@@H](C)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C19H29ClN4O2/c1-14(2)22-18(25)13-23-8-10-24(11-9-23)19(26)12-21-15(3)16-4-6-17(20)7-5-16/h4-7,14-15,21H,8-13H2,1-3H3,(H,22,25)/t15-/m0/s1
InChIKeyIHZUVANJNSLIJD-HNNXBMFYSA-N
MW380.92 g/mol
LogP1.66
Rot. Bonds7

About 2-[4-[2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]acetyl]piperazin-1-yl]-N-propan-2-ylacetamide

2-[4-[2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]acetyl]piperazin-1-yl]-N-propan-2-ylacetamide (PubChem CID 8636098) has the molecular formula C19H29ClN4O2 and a molecular weight of 380.92 g/mol. Its IUPAC name is 2-[4-[2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]acetyl]piperazin-1-yl]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[4-[2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]acetyl]piperazin-1-yl]-N-propan-2-ylacetamide
PubChem CID8636098
Molecular FormulaC19H29ClN4O2
Molecular Weight380.92 g/mol
Exact Mass380.20
IUPAC Name2-[4-[2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]acetyl]piperazin-1-yl]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CN1CCN(C(=O)CN[C@@H](C)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C19H29ClN4O2/c1-14(2)22-18(25)13-23-8-10-24(11-9-23)19(26)12-21-15(3)16-4-6-17(20)7-5-16/h4-7,14-15,21H,8-13H2,1-3H3,(H,22,25)/t15-/m0/s1
InChIKeyIHZUVANJNSLIJD-HNNXBMFYSA-N
XLogP1.66
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.92
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]acetyl]piperazin-1-yl]-N-propan-2-ylacetamide
CID 8636105
2-[4-[2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]acetyl]piperazin-1-yl]-N-propylacetamide
CID 8636945
N-[1-(4-chlorophenyl)ethyl]-2-[4-(2-methoxyacetyl)piperazin-1-yl]acetamide
CID 86993679
2-(4-acetylpiperazin-1-yl)-N-[(1S)-1-(4-chlorophenyl)ethyl]acetamide
CID 8904136
2-[4-[2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]acetyl]piperazin-1-yl]-N-propan-2-ylacetamide
CID 8598532
2-[4-[2-[[(S)-(4-methylphenyl)-phenylmethyl]amino]acetyl]piperazin-1-yl]-N-propan-2-ylacetamide
CID 8640450
N-[1-(4-chlorophenyl)ethyl]-2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]acetamide
CID 42914266
2-[4-[2-[(4-chlorophenyl)methyl-methylamino]acetyl]piperazin-1-yl]-N-propan-2-ylacetamide
CID 8540438
2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-1-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]ethanone
CID 8636472
N-[1-(4-chlorophenyl)ethyl]-2-(4-sulfamoylpiperazin-1-yl)acetamide
CID 86919652
2-(4-aminopiperidin-1-yl)-N-[1-(4-chlorophenyl)ethyl]acetamide
CID 79328175
2-(4-aminopiperidin-1-yl)-N-[(1R)-1-(4-chlorophenyl)ethyl]acetamide
CID 81353847

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]acetyl]piperazin-1-yl]-N-propan-2-ylacetamide?
The IUPAC name of 2-[4-[2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]acetyl]piperazin-1-yl]-N-propan-2-ylacetamide (CID 8636098) is 2-[4-[2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]acetyl]piperazin-1-yl]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[4-[2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]acetyl]piperazin-1-yl]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[4-[2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]acetyl]piperazin-1-yl]-N-propan-2-ylacetamide is CC(C)NC(=O)CN1CCN(C(=O)CN[C@@H](C)c2ccc(Cl)cc2)CC1.
What is the InChIKey of 2-[4-[2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]acetyl]piperazin-1-yl]-N-propan-2-ylacetamide?
The InChIKey is IHZUVANJNSLIJD-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H29ClN4O2/c1-14(2)22-18(25)13-23-8-10-24(11-9-23)19(26)12-21-15(3)16-4-6-17(20)7-5-16/h4-7,14-15,21H,8-13H2,1-3H3,(H,22,25)/t15-/m0/s1.
What are the key properties of 2-[4-[2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]acetyl]piperazin-1-yl]-N-propan-2-ylacetamide?
2-[4-[2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]acetyl]piperazin-1-yl]-N-propan-2-ylacetamide has a molecular weight of 380.92 g/mol, XLogP of 1.66, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]acetyl]piperazin-1-yl]-N-propan-2-ylacetamide is sourced from PubChem (CID 8636098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).