N-cyclopropyl-2-[4-(2-fluorobenzoyl)piperazin-1-yl]acetamide

C16H20FN3O2 — CID 51221138

IUPACN-cyclopropyl-2-[4-(2-fluorobenzoyl)piperazin-1-yl]acetamide
SMILESO=C(CN1CCN(C(=O)c2ccccc2F)CC1)NC1CC1
InChIInChI=1S/C16H20FN3O2/c17-14-4-2-1-3-13(14)16(22)20-9-7-19(8-10-20)11-15(21)18-12-5-6-12/h1-4,12H,5-11H2,(H,18,21)
InChIKeyWDCMRZRQTVUADA-UHFFFAOYSA-N
MW305.35 g/mol
LogP0.86
Rot. Bonds4

About N-cyclopropyl-2-[4-(2-fluorobenzoyl)piperazin-1-yl]acetamide

N-cyclopropyl-2-[4-(2-fluorobenzoyl)piperazin-1-yl]acetamide (PubChem CID 51221138) has the molecular formula C16H20FN3O2 and a molecular weight of 305.35 g/mol. Its IUPAC name is N-cyclopropyl-2-[4-(2-fluorobenzoyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[4-(2-fluorobenzoyl)piperazin-1-yl]acetamide
PubChem CID51221138
Molecular FormulaC16H20FN3O2
Molecular Weight305.35 g/mol
Exact Mass305.15
IUPAC NameN-cyclopropyl-2-[4-(2-fluorobenzoyl)piperazin-1-yl]acetamide
SMILESO=C(CN1CCN(C(=O)c2ccccc2F)CC1)NC1CC1
InChIInChI=1S/C16H20FN3O2/c17-14-4-2-1-3-13(14)16(22)20-9-7-19(8-10-20)11-15(21)18-12-5-6-12/h1-4,12H,5-11H2,(H,18,21)
InChIKeyWDCMRZRQTVUADA-UHFFFAOYSA-N
XLogP0.86
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.35
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(2-chlorobenzoyl)piperazin-1-yl]-N-cyclopropylacetamide
CID 35372589
N-cyclopropyl-3-[[2-[4-(2-fluorobenzoyl)piperazin-1-yl]acetyl]amino]benzamide
CID 30704619
N-cyclopropyl-2-[4-[2-(trifluoromethylsulfanyl)benzoyl]piperazin-1-yl]acetamide
CID 39465986
N-cyclopropyl-2-[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]acetamide
CID 35373996
2-[4-(2-fluorobenzoyl)piperazin-1-yl]-N-(2-fluorophenyl)acetamide
CID 15999180
N-cyclopropyl-2-[4-(2-fluoro-4-methoxybenzoyl)piperazin-1-yl]acetamide
CID 86907285
N-cyclopropyl-2-[4-(3-hydroxynaphthalene-2-carbonyl)piperazin-1-yl]acetamide
CID 51206869
N-cyclopropyl-2-[4-[2-(thiophene-2-carbonyl)benzoyl]piperazin-1-yl]acetamide
CID 51206929
3-chloro-N-[1-(2-fluorobenzoyl)piperidin-4-yl]propanamide
CID 108563637
N-cyclopropyl-2-[4-[2-(3,4-dimethylbenzoyl)benzoyl]piperazin-1-yl]acetamide
CID 36936549
4-amino-N-[1-(2-fluorobenzoyl)piperidin-4-yl]butanamide
CID 119282477
N-cyclopropyl-2-[4-[2-(2-fluorophenoxy)acetyl]piperazin-1-yl]acetamide
CID 51221112

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[4-(2-fluorobenzoyl)piperazin-1-yl]acetamide?
The IUPAC name of N-cyclopropyl-2-[4-(2-fluorobenzoyl)piperazin-1-yl]acetamide (CID 51221138) is N-cyclopropyl-2-[4-(2-fluorobenzoyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-cyclopropyl-2-[4-(2-fluorobenzoyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-cyclopropyl-2-[4-(2-fluorobenzoyl)piperazin-1-yl]acetamide is O=C(CN1CCN(C(=O)c2ccccc2F)CC1)NC1CC1.
What is the InChIKey of N-cyclopropyl-2-[4-(2-fluorobenzoyl)piperazin-1-yl]acetamide?
The InChIKey is WDCMRZRQTVUADA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN3O2/c17-14-4-2-1-3-13(14)16(22)20-9-7-19(8-10-20)11-15(21)18-12-5-6-12/h1-4,12H,5-11H2,(H,18,21).
What are the key properties of N-cyclopropyl-2-[4-(2-fluorobenzoyl)piperazin-1-yl]acetamide?
N-cyclopropyl-2-[4-(2-fluorobenzoyl)piperazin-1-yl]acetamide has a molecular weight of 305.35 g/mol, XLogP of 0.86, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[4-(2-fluorobenzoyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 51221138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).