4-(4-methoxypyrimidin-2-yl)-N-[(2-methylfuran-3-yl)methyl]piperazine-1-carboxamide

C16H21N5O3 — CID 56826138

IUPAC4-(4-methoxypyrimidin-2-yl)-N-[(2-methylfuran-3-yl)methyl]piperazine-1-carboxamide
SMILESCOc1ccnc(N2CCN(C(=O)NCc3ccoc3C)CC2)n1
InChIInChI=1S/C16H21N5O3/c1-12-13(4-10-24-12)11-18-16(22)21-8-6-20(7-9-21)15-17-5-3-14(19-15)23-2/h3-5,10H,6-9,11H2,1-2H3,(H,18,22)
InChIKeyMDWFTXWCTVISAD-UHFFFAOYSA-N
MW331.38 g/mol
LogP1.42
Rot. Bonds4

About 4-(4-methoxypyrimidin-2-yl)-N-[(2-methylfuran-3-yl)methyl]piperazine-1-carboxamide

4-(4-methoxypyrimidin-2-yl)-N-[(2-methylfuran-3-yl)methyl]piperazine-1-carboxamide (PubChem CID 56826138) has the molecular formula C16H21N5O3 and a molecular weight of 331.38 g/mol. Its IUPAC name is 4-(4-methoxypyrimidin-2-yl)-N-[(2-methylfuran-3-yl)methyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(4-methoxypyrimidin-2-yl)-N-[(2-methylfuran-3-yl)methyl]piperazine-1-carboxamide
PubChem CID56826138
Molecular FormulaC16H21N5O3
Molecular Weight331.38 g/mol
Exact Mass331.16
IUPAC Name4-(4-methoxypyrimidin-2-yl)-N-[(2-methylfuran-3-yl)methyl]piperazine-1-carboxamide
SMILESCOc1ccnc(N2CCN(C(=O)NCc3ccoc3C)CC2)n1
InChIInChI=1S/C16H21N5O3/c1-12-13(4-10-24-12)11-18-16(22)21-8-6-20(7-9-21)15-17-5-3-14(19-15)23-2/h3-5,10H,6-9,11H2,1-2H3,(H,18,22)
InChIKeyMDWFTXWCTVISAD-UHFFFAOYSA-N
XLogP1.42
TPSA83.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(4,5-dimethyl-1,3-thiazol-2-yl)-N-[(2-methylfuran-3-yl)methyl]piperazine-1-carboxamide
CID 71967644
[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-(2-methylcyclopropyl)methanone
CID 47340436
4-(2-ethoxyphenyl)-N-[(2-methylfuran-3-yl)methyl]piperazine-1-carboxamide
CID 60569814
(2S)-2-methoxy-1-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]butan-1-one
CID 95589754
[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-[2-(1-methylpyrazol-4-yl)cyclopropyl]methanone
CID 56821659
[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-[(1S,2S)-2-(1-methylpyrazol-4-yl)cyclopropyl]methanone
CID 95590798
N-[(4-methoxyphenyl)methyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide
CID 27516864
N-[(2-methylphenyl)methyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide
CID 108897251
3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]propan-1-one
CID 56798160
2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]acetic acid
CID 43521693
3-[[4-(4-ethoxypyrimidin-2-yl)piperazine-1-carbonyl]amino]propanoic acid
CID 122017762
[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-(3-methyl-1,2-oxazol-5-yl)methanone
CID 56796895

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxypyrimidin-2-yl)-N-[(2-methylfuran-3-yl)methyl]piperazine-1-carboxamide?
The IUPAC name of 4-(4-methoxypyrimidin-2-yl)-N-[(2-methylfuran-3-yl)methyl]piperazine-1-carboxamide (CID 56826138) is 4-(4-methoxypyrimidin-2-yl)-N-[(2-methylfuran-3-yl)methyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-(4-methoxypyrimidin-2-yl)-N-[(2-methylfuran-3-yl)methyl]piperazine-1-carboxamide?
The canonical SMILES for 4-(4-methoxypyrimidin-2-yl)-N-[(2-methylfuran-3-yl)methyl]piperazine-1-carboxamide is COc1ccnc(N2CCN(C(=O)NCc3ccoc3C)CC2)n1.
What is the InChIKey of 4-(4-methoxypyrimidin-2-yl)-N-[(2-methylfuran-3-yl)methyl]piperazine-1-carboxamide?
The InChIKey is MDWFTXWCTVISAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O3/c1-12-13(4-10-24-12)11-18-16(22)21-8-6-20(7-9-21)15-17-5-3-14(19-15)23-2/h3-5,10H,6-9,11H2,1-2H3,(H,18,22).
What are the key properties of 4-(4-methoxypyrimidin-2-yl)-N-[(2-methylfuran-3-yl)methyl]piperazine-1-carboxamide?
4-(4-methoxypyrimidin-2-yl)-N-[(2-methylfuran-3-yl)methyl]piperazine-1-carboxamide has a molecular weight of 331.38 g/mol, XLogP of 1.42, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxypyrimidin-2-yl)-N-[(2-methylfuran-3-yl)methyl]piperazine-1-carboxamide is sourced from PubChem (CID 56826138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).