cyclopropyl-[(3R,4S)-4-[(5-fluoro-1-benzofuran-2-yl)methylamino]-3-methylpiperidin-1-yl]methanone

C19H23FN2O2 — CID 96513650

IUPACcyclopropyl-[(3R,4S)-4-[(5-fluoro-1-benzofuran-2-yl)methylamino]-3-methylpiperidin-1-yl]methanone
SMILESC[C@@H]1CN(C(=O)C2CC2)CC[C@@H]1NCc1cc2cc(F)ccc2o1
InChIInChI=1S/C19H23FN2O2/c1-12-11-22(19(23)13-2-3-13)7-6-17(12)21-10-16-9-14-8-15(20)4-5-18(14)24-16/h4-5,8-9,12-13,17,21H,2-3,6-7,10-11H2,1H3/t12-,17+/m1/s1
InChIKeyNZZRQTHUEPQOIK-PXAZEXFGSA-N
MW330.40 g/mol
LogP3.31
Rot. Bonds4

About cyclopropyl-[(3R,4S)-4-[(5-fluoro-1-benzofuran-2-yl)methylamino]-3-methylpiperidin-1-yl]methanone

cyclopropyl-[(3R,4S)-4-[(5-fluoro-1-benzofuran-2-yl)methylamino]-3-methylpiperidin-1-yl]methanone (PubChem CID 96513650) has the molecular formula C19H23FN2O2 and a molecular weight of 330.40 g/mol. Its IUPAC name is cyclopropyl-[(3R,4S)-4-[(5-fluoro-1-benzofuran-2-yl)methylamino]-3-methylpiperidin-1-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[(3R,4S)-4-[(5-fluoro-1-benzofuran-2-yl)methylamino]-3-methylpiperidin-1-yl]methanone
PubChem CID96513650
Molecular FormulaC19H23FN2O2
Molecular Weight330.40 g/mol
Exact Mass330.17
IUPAC Namecyclopropyl-[(3R,4S)-4-[(5-fluoro-1-benzofuran-2-yl)methylamino]-3-methylpiperidin-1-yl]methanone
SMILESC[C@@H]1CN(C(=O)C2CC2)CC[C@@H]1NCc1cc2cc(F)ccc2o1
InChIInChI=1S/C19H23FN2O2/c1-12-11-22(19(23)13-2-3-13)7-6-17(12)21-10-16-9-14-8-15(20)4-5-18(14)24-16/h4-5,8-9,12-13,17,21H,2-3,6-7,10-11H2,1H3/t12-,17+/m1/s1
InChIKeyNZZRQTHUEPQOIK-PXAZEXFGSA-N
XLogP3.31
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.40
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze cyclopropyl-[(3R,4S)-4-[(5-fluoro-1-benzofuran-2-yl)methylamino]-3-methylpiperidin-1-yl]methanone with MolForge

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Related Compounds

cyclopropyl-[4-[(5-fluoro-1-benzofuran-2-yl)methylamino]-3-methylpiperidin-1-yl]methanone
CID 71927472
1-[(3R,4R)-4-[(5-fluoro-1-benzofuran-2-yl)methylamino]-3-methylpiperidin-1-yl]propan-1-one
CID 96513456
1-[(3S,4S)-3-ethyl-4-[(5-fluoro-1-benzofuran-2-yl)methylamino]piperidin-1-yl]propan-1-one
CID 97097336
[(3S,4R)-4-[(4-chloro-3-fluorophenyl)methylamino]-3-methylpiperidin-1-yl]-cyclopropylmethanone
CID 96513568
cyclopropyl-[(3R,4R)-4-[(4-methoxyphenyl)methylamino]-3-methylpiperidin-1-yl]methanone
CID 97024595
[(3R,4S)-4-[(2-chlorophenyl)methylamino]-3-methylpiperidin-1-yl]-cyclopropylmethanone
CID 96513589
cyclopropyl-[(3S,4R)-4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)-3-methylpiperidin-1-yl]methanone
CID 97024600
cyclopropyl-[(3R,4R)-3-methyl-4-[[3-(trifluoromethyl)phenyl]methylamino]piperidin-1-yl]methanone
CID 96513611
cyclopropyl-[(3S,4R)-4-[[(1S)-1-(3-fluorophenyl)ethyl]amino]-3-methylpiperidin-1-yl]methanone
CID 96513320
[(3R,4R)-4-(1-benzothiophen-3-ylmethylamino)-3-methylpiperidin-1-yl]-cyclopropylmethanone
CID 96513555
cyclopropyl-[(3R,4R)-3-ethyl-4-[[5-(hydroxymethyl)furan-2-yl]methylamino]piperidin-1-yl]methanone
CID 97097433
cyclopropyl-[(3S,4S)-3-methyl-4-[(1-methylbenzimidazol-2-yl)methylamino]piperidin-1-yl]methanone
CID 96513528

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[(3R,4S)-4-[(5-fluoro-1-benzofuran-2-yl)methylamino]-3-methylpiperidin-1-yl]methanone?
The IUPAC name of cyclopropyl-[(3R,4S)-4-[(5-fluoro-1-benzofuran-2-yl)methylamino]-3-methylpiperidin-1-yl]methanone (CID 96513650) is cyclopropyl-[(3R,4S)-4-[(5-fluoro-1-benzofuran-2-yl)methylamino]-3-methylpiperidin-1-yl]methanone.
What is the SMILES notation for cyclopropyl-[(3R,4S)-4-[(5-fluoro-1-benzofuran-2-yl)methylamino]-3-methylpiperidin-1-yl]methanone?
The canonical SMILES for cyclopropyl-[(3R,4S)-4-[(5-fluoro-1-benzofuran-2-yl)methylamino]-3-methylpiperidin-1-yl]methanone is C[C@@H]1CN(C(=O)C2CC2)CC[C@@H]1NCc1cc2cc(F)ccc2o1.
What is the InChIKey of cyclopropyl-[(3R,4S)-4-[(5-fluoro-1-benzofuran-2-yl)methylamino]-3-methylpiperidin-1-yl]methanone?
The InChIKey is NZZRQTHUEPQOIK-PXAZEXFGSA-N. The full InChI is InChI=1S/C19H23FN2O2/c1-12-11-22(19(23)13-2-3-13)7-6-17(12)21-10-16-9-14-8-15(20)4-5-18(14)24-16/h4-5,8-9,12-13,17,21H,2-3,6-7,10-11H2,1H3/t12-,17+/m1/s1.
What are the key properties of cyclopropyl-[(3R,4S)-4-[(5-fluoro-1-benzofuran-2-yl)methylamino]-3-methylpiperidin-1-yl]methanone?
cyclopropyl-[(3R,4S)-4-[(5-fluoro-1-benzofuran-2-yl)methylamino]-3-methylpiperidin-1-yl]methanone has a molecular weight of 330.40 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[(3R,4S)-4-[(5-fluoro-1-benzofuran-2-yl)methylamino]-3-methylpiperidin-1-yl]methanone is sourced from PubChem (CID 96513650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).