2-[[2-[4-[2-(butylamino)-2-oxoethyl]piperazin-1-yl]acetyl]amino]benzamide

C19H29N5O3 — CID 18284875

IUPAC2-[[2-[4-[2-(butylamino)-2-oxoethyl]piperazin-1-yl]acetyl]amino]benzamide
SMILESCCCCNC(=O)CN1CCN(CC(=O)Nc2ccccc2C(N)=O)CC1
InChIInChI=1S/C19H29N5O3/c1-2-3-8-21-17(25)13-23-9-11-24(12-10-23)14-18(26)22-16-7-5-4-6-15(16)19(20)27/h4-7H,2-3,8-14H2,1H3,(H2,20,27)(H,21,25)(H,22,26)
InChIKeyYKBRBKGWKPIAPE-UHFFFAOYSA-N
MW375.47 g/mol
LogP0.26
Rot. Bonds9

About 2-[[2-[4-[2-(butylamino)-2-oxoethyl]piperazin-1-yl]acetyl]amino]benzamide

2-[[2-[4-[2-(butylamino)-2-oxoethyl]piperazin-1-yl]acetyl]amino]benzamide (PubChem CID 18284875) has the molecular formula C19H29N5O3 and a molecular weight of 375.47 g/mol. Its IUPAC name is 2-[[2-[4-[2-(butylamino)-2-oxoethyl]piperazin-1-yl]acetyl]amino]benzamide.

Molecular Properties

Compound Name2-[[2-[4-[2-(butylamino)-2-oxoethyl]piperazin-1-yl]acetyl]amino]benzamide
PubChem CID18284875
Molecular FormulaC19H29N5O3
Molecular Weight375.47 g/mol
Exact Mass375.23
IUPAC Name2-[[2-[4-[2-(butylamino)-2-oxoethyl]piperazin-1-yl]acetyl]amino]benzamide
SMILESCCCCNC(=O)CN1CCN(CC(=O)Nc2ccccc2C(N)=O)CC1
InChIInChI=1S/C19H29N5O3/c1-2-3-8-21-17(25)13-23-9-11-24(12-10-23)14-18(26)22-16-7-5-4-6-15(16)19(20)27/h4-7H,2-3,8-14H2,1H3,(H2,20,27)(H,21,25)(H,22,26)
InChIKeyYKBRBKGWKPIAPE-UHFFFAOYSA-N
XLogP0.26
TPSA107.77 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 50.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[4-[2-(2-chloroanilino)-2-oxoethyl]piperazin-1-yl]-N-pentylacetamide
CID 8800252
2-[[2-(4-oxopiperidin-1-yl)acetyl]amino]benzamide
CID 82342701
2-[[2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]acetyl]amino]benzamide
CID 18277431
2-[[2-(4-benzyl-1,4-diazepan-1-yl)acetyl]amino]benzamide
CID 55511052
2-[[2-(4-pyrimidin-2-ylpiperazin-1-yl)acetyl]amino]benzamide
CID 22199066
2-[4-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]piperazin-1-yl]-N-propylacetamide
CID 30963694
2-[[2-[4-(hydroxymethyl)piperidin-1-yl]acetyl]amino]benzamide
CID 60968756
2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]benzamide
CID 4692603
2-[[2-[4-(4-methoxyphenyl)piperazin-1-yl]acetyl]amino]benzamide
CID 1374696
2-[[2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]acetyl]amino]benzamide
CID 22199290
ethyl 2-[[2-(4-ethylpiperazin-1-yl)acetyl]amino]benzoate
CID 108995538
2-[[2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]acetyl]amino]benzamide
CID 55493980

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[4-[2-(butylamino)-2-oxoethyl]piperazin-1-yl]acetyl]amino]benzamide?
The IUPAC name of 2-[[2-[4-[2-(butylamino)-2-oxoethyl]piperazin-1-yl]acetyl]amino]benzamide (CID 18284875) is 2-[[2-[4-[2-(butylamino)-2-oxoethyl]piperazin-1-yl]acetyl]amino]benzamide.
What is the SMILES notation for 2-[[2-[4-[2-(butylamino)-2-oxoethyl]piperazin-1-yl]acetyl]amino]benzamide?
The canonical SMILES for 2-[[2-[4-[2-(butylamino)-2-oxoethyl]piperazin-1-yl]acetyl]amino]benzamide is CCCCNC(=O)CN1CCN(CC(=O)Nc2ccccc2C(N)=O)CC1.
What is the InChIKey of 2-[[2-[4-[2-(butylamino)-2-oxoethyl]piperazin-1-yl]acetyl]amino]benzamide?
The InChIKey is YKBRBKGWKPIAPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N5O3/c1-2-3-8-21-17(25)13-23-9-11-24(12-10-23)14-18(26)22-16-7-5-4-6-15(16)19(20)27/h4-7H,2-3,8-14H2,1H3,(H2,20,27)(H,21,25)(H,22,26).
What are the key properties of 2-[[2-[4-[2-(butylamino)-2-oxoethyl]piperazin-1-yl]acetyl]amino]benzamide?
2-[[2-[4-[2-(butylamino)-2-oxoethyl]piperazin-1-yl]acetyl]amino]benzamide has a molecular weight of 375.47 g/mol, XLogP of 0.26, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[4-[2-(butylamino)-2-oxoethyl]piperazin-1-yl]acetyl]amino]benzamide is sourced from PubChem (CID 18284875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).