N-cyclopropyl-2-[4-(2-methylfuran-3-carbonyl)piperazin-1-yl]acetamide

C15H21N3O3 — CID 31427575

IUPACN-cyclopropyl-2-[4-(2-methylfuran-3-carbonyl)piperazin-1-yl]acetamide
SMILESCc1occc1C(=O)N1CCN(CC(=O)NC2CC2)CC1
InChIInChI=1S/C15H21N3O3/c1-11-13(4-9-21-11)15(20)18-7-5-17(6-8-18)10-14(19)16-12-2-3-12/h4,9,12H,2-3,5-8,10H2,1H3,(H,16,19)
InChIKeyWMEPSEYBDIJPFK-UHFFFAOYSA-N
MW291.35 g/mol
LogP0.62
Rot. Bonds4

About N-cyclopropyl-2-[4-(2-methylfuran-3-carbonyl)piperazin-1-yl]acetamide

N-cyclopropyl-2-[4-(2-methylfuran-3-carbonyl)piperazin-1-yl]acetamide (PubChem CID 31427575) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is N-cyclopropyl-2-[4-(2-methylfuran-3-carbonyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[4-(2-methylfuran-3-carbonyl)piperazin-1-yl]acetamide
PubChem CID31427575
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC NameN-cyclopropyl-2-[4-(2-methylfuran-3-carbonyl)piperazin-1-yl]acetamide
SMILESCc1occc1C(=O)N1CCN(CC(=O)NC2CC2)CC1
InChIInChI=1S/C15H21N3O3/c1-11-13(4-9-21-11)15(20)18-7-5-17(6-8-18)10-14(19)16-12-2-3-12/h4,9,12H,2-3,5-8,10H2,1H3,(H,16,19)
InChIKeyWMEPSEYBDIJPFK-UHFFFAOYSA-N
XLogP0.62
TPSA65.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(2-chlorobenzoyl)piperazin-1-yl]-N-cyclopropylacetamide
CID 35372589
N-cyclopropyl-2-[4-(2-fluorobenzoyl)piperazin-1-yl]acetamide
CID 51221138
[4-(2-bromoethyl)piperazin-1-yl]-(2-methylfuran-3-yl)methanone
CID 80660536
N-cyclopropyl-2-[4-[2-(3,4-dimethylbenzoyl)benzoyl]piperazin-1-yl]acetamide
CID 36936549
N-cyclopropyl-2-[4-(2,4,6-trimethylbenzoyl)piperazin-1-yl]acetamide
CID 146085050
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
2-[4-(5-bromo-2-iodobenzoyl)piperazin-1-yl]-N-cyclopropylacetamide
CID 31426765
N-cyclopropyl-2-[4-(2-fluoro-4-methoxybenzoyl)piperazin-1-yl]acetamide
CID 86907285
[4-[(2R)-2-hydroxybutyl]piperazin-1-yl]-(2-methylfuran-3-yl)methanone
CID 95312025
[4-(ethylaminomethyl)piperidin-1-yl]-(2-methylfuran-3-yl)methanone
CID 80551479
N-cyclopropyl-2-[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]acetamide
CID 35373996

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[4-(2-methylfuran-3-carbonyl)piperazin-1-yl]acetamide?
The IUPAC name of N-cyclopropyl-2-[4-(2-methylfuran-3-carbonyl)piperazin-1-yl]acetamide (CID 31427575) is N-cyclopropyl-2-[4-(2-methylfuran-3-carbonyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-cyclopropyl-2-[4-(2-methylfuran-3-carbonyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-cyclopropyl-2-[4-(2-methylfuran-3-carbonyl)piperazin-1-yl]acetamide is Cc1occc1C(=O)N1CCN(CC(=O)NC2CC2)CC1.
What is the InChIKey of N-cyclopropyl-2-[4-(2-methylfuran-3-carbonyl)piperazin-1-yl]acetamide?
The InChIKey is WMEPSEYBDIJPFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-11-13(4-9-21-11)15(20)18-7-5-17(6-8-18)10-14(19)16-12-2-3-12/h4,9,12H,2-3,5-8,10H2,1H3,(H,16,19).
What are the key properties of N-cyclopropyl-2-[4-(2-methylfuran-3-carbonyl)piperazin-1-yl]acetamide?
N-cyclopropyl-2-[4-(2-methylfuran-3-carbonyl)piperazin-1-yl]acetamide has a molecular weight of 291.35 g/mol, XLogP of 0.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[4-(2-methylfuran-3-carbonyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 31427575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).