(2R)-2-[4-(furan-3-carbonyl)piperazin-1-yl]-N-prop-2-enylpropanamide

C15H21N3O3 — CID 34952537

IUPAC(2R)-2-[4-(furan-3-carbonyl)piperazin-1-yl]-N-prop-2-enylpropanamide
SMILESC=CCNC(=O)[C@@H](C)N1CCN(C(=O)c2ccoc2)CC1
InChIInChI=1S/C15H21N3O3/c1-3-5-16-14(19)12(2)17-6-8-18(9-7-17)15(20)13-4-10-21-11-13/h3-4,10-12H,1,5-9H2,2H3,(H,16,19)/t12-/m1/s1
InChIKeyNNWYRSYZKAUYCK-GFCCVEGCSA-N
MW291.35 g/mol
LogP0.73
Rot. Bonds5

About (2R)-2-[4-(furan-3-carbonyl)piperazin-1-yl]-N-prop-2-enylpropanamide

(2R)-2-[4-(furan-3-carbonyl)piperazin-1-yl]-N-prop-2-enylpropanamide (PubChem CID 34952537) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is (2R)-2-[4-(furan-3-carbonyl)piperazin-1-yl]-N-prop-2-enylpropanamide.

Molecular Properties

Compound Name(2R)-2-[4-(furan-3-carbonyl)piperazin-1-yl]-N-prop-2-enylpropanamide
PubChem CID34952537
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name(2R)-2-[4-(furan-3-carbonyl)piperazin-1-yl]-N-prop-2-enylpropanamide
SMILESC=CCNC(=O)[C@@H](C)N1CCN(C(=O)c2ccoc2)CC1
InChIInChI=1S/C15H21N3O3/c1-3-5-16-14(19)12(2)17-6-8-18(9-7-17)15(20)13-4-10-21-11-13/h3-4,10-12H,1,5-9H2,2H3,(H,16,19)/t12-/m1/s1
InChIKeyNNWYRSYZKAUYCK-GFCCVEGCSA-N
XLogP0.73
TPSA65.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-tert-butyl-2-[4-(furan-3-carbonyl)piperazin-1-yl]propanamide
CID 42955051
2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-prop-2-enylpropanamide
CID 46744287
2-[4-(furan-2-carbonyl)-1,4-diazepan-1-yl]-N-prop-2-enylpropanamide
CID 138379082
formic acid;2-[4-(furan-3-carbonyl)-1,4-diazepan-1-yl]-N-pyridin-2-ylpropanamide
CID 154918994
(2R)-2-[4-(benzenesulfonyl)piperazin-1-yl]-N-prop-2-enylpropanamide
CID 9493919
2-[4-[1-(furan-3-carbonyl)piperidine-4-carbonyl]piperazin-1-yl]-1-piperidin-1-ylpropan-1-one
CID 86890852
(2R)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-prop-2-enylpropanamide
CID 9460029
(2S)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-prop-2-enylpropanamide
CID 9460026
(2S)-2-[4-[2-(2,3-dimethylphenoxy)acetyl]piperazin-1-yl]-N-prop-2-enylpropanamide
CID 37388293
N-prop-2-enyl-2-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)propanamide
CID 42896207
N-[1-(furan-3-carbonyl)piperidin-4-yl]-2-methylpropanamide
CID 38198075
(2S)-2-(4-cyclopentylpiperazin-1-yl)-N-prop-2-enylpropanamide
CID 94062189

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[4-(furan-3-carbonyl)piperazin-1-yl]-N-prop-2-enylpropanamide?
The IUPAC name of (2R)-2-[4-(furan-3-carbonyl)piperazin-1-yl]-N-prop-2-enylpropanamide (CID 34952537) is (2R)-2-[4-(furan-3-carbonyl)piperazin-1-yl]-N-prop-2-enylpropanamide.
What is the SMILES notation for (2R)-2-[4-(furan-3-carbonyl)piperazin-1-yl]-N-prop-2-enylpropanamide?
The canonical SMILES for (2R)-2-[4-(furan-3-carbonyl)piperazin-1-yl]-N-prop-2-enylpropanamide is C=CCNC(=O)[C@@H](C)N1CCN(C(=O)c2ccoc2)CC1.
What is the InChIKey of (2R)-2-[4-(furan-3-carbonyl)piperazin-1-yl]-N-prop-2-enylpropanamide?
The InChIKey is NNWYRSYZKAUYCK-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-3-5-16-14(19)12(2)17-6-8-18(9-7-17)15(20)13-4-10-21-11-13/h3-4,10-12H,1,5-9H2,2H3,(H,16,19)/t12-/m1/s1.
What are the key properties of (2R)-2-[4-(furan-3-carbonyl)piperazin-1-yl]-N-prop-2-enylpropanamide?
(2R)-2-[4-(furan-3-carbonyl)piperazin-1-yl]-N-prop-2-enylpropanamide has a molecular weight of 291.35 g/mol, XLogP of 0.73, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[4-(furan-3-carbonyl)piperazin-1-yl]-N-prop-2-enylpropanamide is sourced from PubChem (CID 34952537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).