3-amino-4-(4-cyclopropylpiperazin-1-yl)-4-oxobutanamide

C11H20N4O2 — CID 54874302

IUPAC3-amino-4-(4-cyclopropylpiperazin-1-yl)-4-oxobutanamide
SMILESNC(=O)CC(N)C(=O)N1CCN(C2CC2)CC1
InChIInChI=1S/C11H20N4O2/c12-9(7-10(13)16)11(17)15-5-3-14(4-6-15)8-1-2-8/h8-9H,1-7,12H2,(H2,13,16)
InChIKeyOFCOQFWKKSMFJV-UHFFFAOYSA-N
MW240.31 g/mol
LogP-1.50
Rot. Bonds4

About 3-amino-4-(4-cyclopropylpiperazin-1-yl)-4-oxobutanamide

3-amino-4-(4-cyclopropylpiperazin-1-yl)-4-oxobutanamide (PubChem CID 54874302) has the molecular formula C11H20N4O2 and a molecular weight of 240.31 g/mol. Its IUPAC name is 3-amino-4-(4-cyclopropylpiperazin-1-yl)-4-oxobutanamide.

Molecular Properties

Compound Name3-amino-4-(4-cyclopropylpiperazin-1-yl)-4-oxobutanamide
PubChem CID54874302
Molecular FormulaC11H20N4O2
Molecular Weight240.31 g/mol
Exact Mass240.16
IUPAC Name3-amino-4-(4-cyclopropylpiperazin-1-yl)-4-oxobutanamide
SMILESNC(=O)CC(N)C(=O)N1CCN(C2CC2)CC1
InChIInChI=1S/C11H20N4O2/c12-9(7-10(13)16)11(17)15-5-3-14(4-6-15)8-1-2-8/h8-9H,1-7,12H2,(H2,13,16)
InChIKeyOFCOQFWKKSMFJV-UHFFFAOYSA-N
XLogP-1.50
TPSA92.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 5-1.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-4-oxo-4-(4-pyrrolidin-1-ylpiperidin-1-yl)butanoic acid
CID 64895343
ethyl 4-(2,4-diamino-4-oxobutanoyl)piperazine-1-carboxylate
CID 54916787
3-amino-4-(4-tert-butylpiperidin-1-yl)-4-oxobutanamide;hydrochloride
CID 119957116
3-[1-(2,4-diamino-4-oxobutanoyl)piperidin-4-yl]propanoic acid
CID 62215546
2-amino-1-(4-cyclopropylpiperazin-1-yl)-3-methylpentan-1-one
CID 54874275
3-[4-(2,4-diamino-4-oxobutanoyl)piperazin-1-yl]propanoic acid
CID 61162188
2-amino-1-(4-cyclohexylpiperazin-1-yl)-3-methoxypropan-1-one
CID 120992943
ethyl 1-(2,4-diamino-4-oxobutanoyl)piperidine-4-carboxylate
CID 60846566
3-amino-4-[4-(2-hydroxyethoxy)piperidin-1-yl]-4-oxobutanamide
CID 82695564
3-amino-4-oxo-4-(4-propan-2-ylazepan-1-yl)butanamide;hydrochloride
CID 119957428
4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3-amino-4-oxobutanamide;hydrochloride
CID 119957439
2-amino-1-(4-cyclopentylpiperazin-1-yl)-4-methylsulfonylbutan-1-one
CID 62369792

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-(4-cyclopropylpiperazin-1-yl)-4-oxobutanamide?
The IUPAC name of 3-amino-4-(4-cyclopropylpiperazin-1-yl)-4-oxobutanamide (CID 54874302) is 3-amino-4-(4-cyclopropylpiperazin-1-yl)-4-oxobutanamide.
What is the SMILES notation for 3-amino-4-(4-cyclopropylpiperazin-1-yl)-4-oxobutanamide?
The canonical SMILES for 3-amino-4-(4-cyclopropylpiperazin-1-yl)-4-oxobutanamide is NC(=O)CC(N)C(=O)N1CCN(C2CC2)CC1.
What is the InChIKey of 3-amino-4-(4-cyclopropylpiperazin-1-yl)-4-oxobutanamide?
The InChIKey is OFCOQFWKKSMFJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O2/c12-9(7-10(13)16)11(17)15-5-3-14(4-6-15)8-1-2-8/h8-9H,1-7,12H2,(H2,13,16).
What are the key properties of 3-amino-4-(4-cyclopropylpiperazin-1-yl)-4-oxobutanamide?
3-amino-4-(4-cyclopropylpiperazin-1-yl)-4-oxobutanamide has a molecular weight of 240.31 g/mol, XLogP of -1.50, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-(4-cyclopropylpiperazin-1-yl)-4-oxobutanamide is sourced from PubChem (CID 54874302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).