3-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazine-1-carbonyl]benzamide

C17H22N4O3 — CID 30828376

IUPAC3-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazine-1-carbonyl]benzamide
SMILESNC(=O)c1cccc(C(=O)N2CCN(CC(=O)NC3CC3)CC2)c1
InChIInChI=1S/C17H22N4O3/c18-16(23)12-2-1-3-13(10-12)17(24)21-8-6-20(7-9-21)11-15(22)19-14-4-5-14/h1-3,10,14H,4-9,11H2,(H2,18,23)(H,19,22)
InChIKeyGVQYFJZGFNISOX-UHFFFAOYSA-N
MW330.39 g/mol
LogP-0.18
Rot. Bonds5

About 3-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazine-1-carbonyl]benzamide

3-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazine-1-carbonyl]benzamide (PubChem CID 30828376) has the molecular formula C17H22N4O3 and a molecular weight of 330.39 g/mol. Its IUPAC name is 3-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazine-1-carbonyl]benzamide.

Molecular Properties

Compound Name3-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazine-1-carbonyl]benzamide
PubChem CID30828376
Molecular FormulaC17H22N4O3
Molecular Weight330.39 g/mol
Exact Mass330.17
IUPAC Name3-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazine-1-carbonyl]benzamide
SMILESNC(=O)c1cccc(C(=O)N2CCN(CC(=O)NC3CC3)CC2)c1
InChIInChI=1S/C17H22N4O3/c18-16(23)12-2-1-3-13(10-12)17(24)21-8-6-20(7-9-21)11-15(22)19-14-4-5-14/h1-3,10,14H,4-9,11H2,(H2,18,23)(H,19,22)
InChIKeyGVQYFJZGFNISOX-UHFFFAOYSA-N
XLogP-0.18
TPSA95.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 5-0.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-2-[4-(3-methylbenzoyl)-1,4-diazepan-1-yl]acetamide
CID 37105606
N-cyclopropyl-2-[4-[3-(methoxymethyl)benzoyl]piperazin-1-yl]acetamide
CID 35373224
3-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]piperazine-1-carbonyl]benzamide
CID 46569274
N-cyclooctyl-2-[4-(3-methoxybenzoyl)piperazin-1-yl]acetamide
CID 35227706
2-(4-benzoylpiperazin-1-yl)-N-(cyclopropylcarbamoyl)acetamide
CID 9223376
N-(1-cyclopropylpiperidin-4-yl)-2-[4-(3-methylbenzoyl)-1,4-diazepan-1-yl]acetamide
CID 128926637
2-[4-(2-chlorobenzoyl)piperazin-1-yl]-N-cyclopropylacetamide
CID 35372589
2-[4-(4-anilino-3-nitrobenzoyl)piperazin-1-yl]-N-cyclopropylacetamide
CID 39633776
N-cyclopropyl-2-[4-(2-fluorobenzoyl)piperazin-1-yl]acetamide
CID 51221138
2-[4-(5-bromopyridine-3-carbonyl)piperazin-1-yl]-N-cyclopropylacetamide
CID 51206875
N-cyclopropyl-2-[4-(3-hydroxynaphthalene-2-carbonyl)piperazin-1-yl]acetamide
CID 51206869
N-cyclopropyl-2-[4-(6-methylpyridine-3-carbonyl)piperazin-1-yl]acetamide
CID 43045355

Frequently Asked Questions

What is the IUPAC name of 3-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazine-1-carbonyl]benzamide?
The IUPAC name of 3-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazine-1-carbonyl]benzamide (CID 30828376) is 3-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazine-1-carbonyl]benzamide.
What is the SMILES notation for 3-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazine-1-carbonyl]benzamide?
The canonical SMILES for 3-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazine-1-carbonyl]benzamide is NC(=O)c1cccc(C(=O)N2CCN(CC(=O)NC3CC3)CC2)c1.
What is the InChIKey of 3-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazine-1-carbonyl]benzamide?
The InChIKey is GVQYFJZGFNISOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3/c18-16(23)12-2-1-3-13(10-12)17(24)21-8-6-20(7-9-21)11-15(22)19-14-4-5-14/h1-3,10,14H,4-9,11H2,(H2,18,23)(H,19,22).
What are the key properties of 3-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazine-1-carbonyl]benzamide?
3-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazine-1-carbonyl]benzamide has a molecular weight of 330.39 g/mol, XLogP of -0.18, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazine-1-carbonyl]benzamide is sourced from PubChem (CID 30828376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).