3-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]-1-[4-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]propan-1-one

C22H33N3O3 — CID 94120307

IUPAC3-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]-1-[4-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]propan-1-one
SMILESC[C@@H]1C[C@H]1c1ccc(CCC(=O)N2CCC(C(=O)N3CCN(C)CC3)CC2)o1
InChIInChI=1S/C22H33N3O3/c1-16-15-19(16)20-5-3-18(28-20)4-6-21(26)24-9-7-17(8-10-24)22(27)25-13-11-23(2)12-14-25/h3,5,16-17,19H,4,6-15H2,1-2H3/t16-,19-/m1/s1
InChIKeyCHKGJUSIKRHOCS-VQIMIIECSA-N
MW387.52 g/mol
LogP2.35
Rot. Bonds5

About 3-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]-1-[4-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]propan-1-one

3-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]-1-[4-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]propan-1-one (PubChem CID 94120307) has the molecular formula C22H33N3O3 and a molecular weight of 387.52 g/mol. Its IUPAC name is 3-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]-1-[4-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]-1-[4-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]propan-1-one
PubChem CID94120307
Molecular FormulaC22H33N3O3
Molecular Weight387.52 g/mol
Exact Mass387.25
IUPAC Name3-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]-1-[4-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]propan-1-one
SMILESC[C@@H]1C[C@H]1c1ccc(CCC(=O)N2CCC(C(=O)N3CCN(C)CC3)CC2)o1
InChIInChI=1S/C22H33N3O3/c1-16-15-19(16)20-5-3-18(28-20)4-6-21(26)24-9-7-17(8-10-24)22(27)25-13-11-23(2)12-14-25/h3,5,16-17,19H,4,6-15H2,1-2H3/t16-,19-/m1/s1
InChIKeyCHKGJUSIKRHOCS-VQIMIIECSA-N
XLogP2.35
TPSA57.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.52
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]-1-[4-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]propan-1-one with MolForge

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Related Compounds

3-[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]-1-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propan-1-one
CID 94029312
1-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]-3-[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]propan-1-one
CID 98761551
3-[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]-1-[(2R)-2-methylpiperidin-1-yl]propan-1-one
CID 124811218
3-[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one
CID 94472444
1-[1-[3-[5-(2-methylcyclopropyl)furan-2-yl]propanoyl]piperidin-4-yl]imidazolidin-2-one
CID 56816833
1-[1-[3-[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]propanoyl]piperidin-4-yl]imidazolidin-2-one
CID 94628029
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-[5-(2-methylcyclopropyl)furan-2-yl]propan-1-one
CID 71942741
2-[cyclopropyl-[[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methyl]amino]-1-(4-methylpiperazin-1-yl)ethanone
CID 97091734
1-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-3-[5-(2-methylcyclopropyl)furan-2-yl]propan-1-one
CID 71927931
methyl 3-[5-(2-methylcyclopropyl)furan-2-yl]propanoate
CID 112723028
ethyl 6-[4-[3-[5-(2-methylcyclopropyl)furan-2-yl]propanoyl]piperazin-1-yl]pyridine-3-carboxylate
CID 55636691
1-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-3-[5-(2-methylcyclopropyl)furan-2-yl]propan-1-one
CID 55447919

Frequently Asked Questions

What is the IUPAC name of 3-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]-1-[4-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]propan-1-one?
The IUPAC name of 3-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]-1-[4-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]propan-1-one (CID 94120307) is 3-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]-1-[4-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]propan-1-one.
What is the SMILES notation for 3-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]-1-[4-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]propan-1-one?
The canonical SMILES for 3-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]-1-[4-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]propan-1-one is C[C@@H]1C[C@H]1c1ccc(CCC(=O)N2CCC(C(=O)N3CCN(C)CC3)CC2)o1.
What is the InChIKey of 3-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]-1-[4-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]propan-1-one?
The InChIKey is CHKGJUSIKRHOCS-VQIMIIECSA-N. The full InChI is InChI=1S/C22H33N3O3/c1-16-15-19(16)20-5-3-18(28-20)4-6-21(26)24-9-7-17(8-10-24)22(27)25-13-11-23(2)12-14-25/h3,5,16-17,19H,4,6-15H2,1-2H3/t16-,19-/m1/s1.
What are the key properties of 3-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]-1-[4-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]propan-1-one?
3-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]-1-[4-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]propan-1-one has a molecular weight of 387.52 g/mol, XLogP of 2.35, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]-1-[4-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 94120307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).