N-[(1R)-1-(2,5-dimethylfuran-3-yl)ethyl]-4-(2-methylpyrimidin-4-yl)piperazine-1-carboxamide

C18H25N5O2 — CID 97306529

IUPACN-[(1R)-1-(2,5-dimethylfuran-3-yl)ethyl]-4-(2-methylpyrimidin-4-yl)piperazine-1-carboxamide
SMILESCc1nccc(N2CCN(C(=O)N[C@H](C)c3cc(C)oc3C)CC2)n1
InChIInChI=1S/C18H25N5O2/c1-12-11-16(14(3)25-12)13(2)20-18(24)23-9-7-22(8-10-23)17-5-6-19-15(4)21-17/h5-6,11,13H,7-10H2,1-4H3,(H,20,24)/t13-/m1/s1
InChIKeyNWTHYEWHBCITLZ-CYBMUJFWSA-N
MW343.43 g/mol
LogP2.59
Rot. Bonds3

About N-[(1R)-1-(2,5-dimethylfuran-3-yl)ethyl]-4-(2-methylpyrimidin-4-yl)piperazine-1-carboxamide

N-[(1R)-1-(2,5-dimethylfuran-3-yl)ethyl]-4-(2-methylpyrimidin-4-yl)piperazine-1-carboxamide (PubChem CID 97306529) has the molecular formula C18H25N5O2 and a molecular weight of 343.43 g/mol. Its IUPAC name is N-[(1R)-1-(2,5-dimethylfuran-3-yl)ethyl]-4-(2-methylpyrimidin-4-yl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-(2,5-dimethylfuran-3-yl)ethyl]-4-(2-methylpyrimidin-4-yl)piperazine-1-carboxamide
PubChem CID97306529
Molecular FormulaC18H25N5O2
Molecular Weight343.43 g/mol
Exact Mass343.20
IUPAC NameN-[(1R)-1-(2,5-dimethylfuran-3-yl)ethyl]-4-(2-methylpyrimidin-4-yl)piperazine-1-carboxamide
SMILESCc1nccc(N2CCN(C(=O)N[C@H](C)c3cc(C)oc3C)CC2)n1
InChIInChI=1S/C18H25N5O2/c1-12-11-16(14(3)25-12)13(2)20-18(24)23-9-7-22(8-10-23)17-5-6-19-15(4)21-17/h5-6,11,13H,7-10H2,1-4H3,(H,20,24)/t13-/m1/s1
InChIKeyNWTHYEWHBCITLZ-CYBMUJFWSA-N
XLogP2.59
TPSA74.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(1R)-1-(2,5-dimethylfuran-3-yl)ethyl]-4-(2-methylpyrimidin-4-yl)piperazine-1-carboxamide with MolForge

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Related Compounds

N-[1-(2,5-dimethylfuran-3-yl)ethyl]-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide
CID 86797413
N-[1-(2,5-dimethylfuran-3-yl)ethyl]-3,5-dimethylpiperidine-1-carboxamide
CID 60597945
N-[1-(2,5-dimethylfuran-3-yl)ethyl]-4-[2-(ethylamino)-2-oxoethyl]piperazine-1-carboxamide
CID 60597838
N-cyclopent-3-en-1-yl-4-(2-methylpyrimidin-4-yl)piperazine-1-carboxamide
CID 86791348
1-[1-(2,5-dimethylfuran-3-yl)ethylcarbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 63147875
N-[(1S)-1-(2,5-dimethylfuran-3-yl)ethyl]-7,7-dimethyl-1,1-dioxo-1,4-thiazepane-4-carboxamide
CID 99839284
(3S)-N-[(1S)-1-(2,5-dimethylfuran-3-yl)ethyl]-3-pyridin-3-yloxypyrrolidine-1-carboxamide
CID 97067874
4-(2-methylpyrimidin-4-yl)-N-(2-thiophen-2-ylpropyl)piperazine-1-carboxamide
CID 86791339
N-[1-(2,5-dimethylfuran-3-yl)ethyl]-4-(1-methylpyrazol-4-yl)-3-oxopiperazine-1-carboxamide
CID 71861162
N-(3-fluoro-2-methylphenyl)-4-(2-methylpyrimidin-4-yl)piperazine-1-carboxamide
CID 136530919
N-(1-phenylethyl)-4-pyridin-2-ylpiperazine-1-carboxamide
CID 108988786
furan-2-yl-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 171130326

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(2,5-dimethylfuran-3-yl)ethyl]-4-(2-methylpyrimidin-4-yl)piperazine-1-carboxamide?
The IUPAC name of N-[(1R)-1-(2,5-dimethylfuran-3-yl)ethyl]-4-(2-methylpyrimidin-4-yl)piperazine-1-carboxamide (CID 97306529) is N-[(1R)-1-(2,5-dimethylfuran-3-yl)ethyl]-4-(2-methylpyrimidin-4-yl)piperazine-1-carboxamide.
What is the SMILES notation for N-[(1R)-1-(2,5-dimethylfuran-3-yl)ethyl]-4-(2-methylpyrimidin-4-yl)piperazine-1-carboxamide?
The canonical SMILES for N-[(1R)-1-(2,5-dimethylfuran-3-yl)ethyl]-4-(2-methylpyrimidin-4-yl)piperazine-1-carboxamide is Cc1nccc(N2CCN(C(=O)N[C@H](C)c3cc(C)oc3C)CC2)n1.
What is the InChIKey of N-[(1R)-1-(2,5-dimethylfuran-3-yl)ethyl]-4-(2-methylpyrimidin-4-yl)piperazine-1-carboxamide?
The InChIKey is NWTHYEWHBCITLZ-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H25N5O2/c1-12-11-16(14(3)25-12)13(2)20-18(24)23-9-7-22(8-10-23)17-5-6-19-15(4)21-17/h5-6,11,13H,7-10H2,1-4H3,(H,20,24)/t13-/m1/s1.
What are the key properties of N-[(1R)-1-(2,5-dimethylfuran-3-yl)ethyl]-4-(2-methylpyrimidin-4-yl)piperazine-1-carboxamide?
N-[(1R)-1-(2,5-dimethylfuran-3-yl)ethyl]-4-(2-methylpyrimidin-4-yl)piperazine-1-carboxamide has a molecular weight of 343.43 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(2,5-dimethylfuran-3-yl)ethyl]-4-(2-methylpyrimidin-4-yl)piperazine-1-carboxamide is sourced from PubChem (CID 97306529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).