N-[2-(cyclopropylamino)-2-oxoethyl]-4-(4-fluorophenyl)piperazine-1-carboxamide

C16H21FN4O2 — CID 53369031

IUPACN-[2-(cyclopropylamino)-2-oxoethyl]-4-(4-fluorophenyl)piperazine-1-carboxamide
SMILESO=C(CNC(=O)N1CCN(c2ccc(F)cc2)CC1)NC1CC1
InChIInChI=1S/C16H21FN4O2/c17-12-1-5-14(6-2-12)20-7-9-21(10-8-20)16(23)18-11-15(22)19-13-3-4-13/h1-2,5-6,13H,3-4,7-11H2,(H,18,23)(H,19,22)
InChIKeyIMPFXNDTWWDFSQ-UHFFFAOYSA-N
MW320.37 g/mol
LogP0.94
Rot. Bonds4

About N-[2-(cyclopropylamino)-2-oxoethyl]-4-(4-fluorophenyl)piperazine-1-carboxamide

N-[2-(cyclopropylamino)-2-oxoethyl]-4-(4-fluorophenyl)piperazine-1-carboxamide (PubChem CID 53369031) has the molecular formula C16H21FN4O2 and a molecular weight of 320.37 g/mol. Its IUPAC name is N-[2-(cyclopropylamino)-2-oxoethyl]-4-(4-fluorophenyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-[2-(cyclopropylamino)-2-oxoethyl]-4-(4-fluorophenyl)piperazine-1-carboxamide
PubChem CID53369031
Molecular FormulaC16H21FN4O2
Molecular Weight320.37 g/mol
Exact Mass320.16
IUPAC NameN-[2-(cyclopropylamino)-2-oxoethyl]-4-(4-fluorophenyl)piperazine-1-carboxamide
SMILESO=C(CNC(=O)N1CCN(c2ccc(F)cc2)CC1)NC1CC1
InChIInChI=1S/C16H21FN4O2/c17-12-1-5-14(6-2-12)20-7-9-21(10-8-20)16(23)18-11-15(22)19-13-3-4-13/h1-2,5-6,13H,3-4,7-11H2,(H,18,23)(H,19,22)
InChIKeyIMPFXNDTWWDFSQ-UHFFFAOYSA-N
XLogP0.94
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.37
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-4-(4-fluorophenyl)piperazine-1-carboxamide
CID 47127339
N-cyclopropyl-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide
CID 6465367
N-[2-(4-acetamidoanilino)-2-oxoethyl]-4-(4-fluorophenyl)piperazine-1-carboxamide
CID 56762711
4-(4-fluorophenyl)-N-(3-oxobutyl)piperazine-1-carboxamide
CID 108895046
4-(4-fluorophenyl)-N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]piperazine-1-carboxamide
CID 48515379
N'-cyclopropyl-N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]oxamide
CID 42390559
N-cyclopropyl-4-(3,4-difluorophenyl)piperazine-1-carboxamide
CID 113081399
4-(4-fluorophenyl)-N-(2-methoxyethoxymethyl)piperazine-1-carboxamide
CID 108894345
3-[[amino-[4-(4-fluorophenyl)piperazin-1-yl]methylidene]amino]-N-cyclohexylpropanamide
CID 111075503
1-[(3S)-1,1-dioxothiolan-3-yl]-3-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]urea
CID 51717134
4-(4-fluorophenyl)-N-(phenoxymethyl)piperazine-1-carboxamide
CID 108888836
4-(cyclopentanecarbonyl)-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]piperazine-1-carboxamide
CID 78892291

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopropylamino)-2-oxoethyl]-4-(4-fluorophenyl)piperazine-1-carboxamide?
The IUPAC name of N-[2-(cyclopropylamino)-2-oxoethyl]-4-(4-fluorophenyl)piperazine-1-carboxamide (CID 53369031) is N-[2-(cyclopropylamino)-2-oxoethyl]-4-(4-fluorophenyl)piperazine-1-carboxamide.
What is the SMILES notation for N-[2-(cyclopropylamino)-2-oxoethyl]-4-(4-fluorophenyl)piperazine-1-carboxamide?
The canonical SMILES for N-[2-(cyclopropylamino)-2-oxoethyl]-4-(4-fluorophenyl)piperazine-1-carboxamide is O=C(CNC(=O)N1CCN(c2ccc(F)cc2)CC1)NC1CC1.
What is the InChIKey of N-[2-(cyclopropylamino)-2-oxoethyl]-4-(4-fluorophenyl)piperazine-1-carboxamide?
The InChIKey is IMPFXNDTWWDFSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN4O2/c17-12-1-5-14(6-2-12)20-7-9-21(10-8-20)16(23)18-11-15(22)19-13-3-4-13/h1-2,5-6,13H,3-4,7-11H2,(H,18,23)(H,19,22).
What are the key properties of N-[2-(cyclopropylamino)-2-oxoethyl]-4-(4-fluorophenyl)piperazine-1-carboxamide?
N-[2-(cyclopropylamino)-2-oxoethyl]-4-(4-fluorophenyl)piperazine-1-carboxamide has a molecular weight of 320.37 g/mol, XLogP of 0.94, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclopropylamino)-2-oxoethyl]-4-(4-fluorophenyl)piperazine-1-carboxamide is sourced from PubChem (CID 53369031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).