[(3R,4R)-4-[(5-chlorofuran-2-yl)methylamino]-3-ethylpiperidin-1-yl]-cyclopropylmethanone

C16H23ClN2O2 — CID 97097445

IUPAC[(3R,4R)-4-[(5-chlorofuran-2-yl)methylamino]-3-ethylpiperidin-1-yl]-cyclopropylmethanone
SMILESCC[C@@H]1CN(C(=O)C2CC2)CC[C@H]1NCc1ccc(Cl)o1
InChIInChI=1S/C16H23ClN2O2/c1-2-11-10-19(16(20)12-3-4-12)8-7-14(11)18-9-13-5-6-15(17)21-13/h5-6,11-12,14,18H,2-4,7-10H2,1H3/t11-,14-/m1/s1
InChIKeyVZBIYSRSXNVHFT-BXUZGUMPSA-N
MW310.82 g/mol
LogP3.06
Rot. Bonds5

About [(3R,4R)-4-[(5-chlorofuran-2-yl)methylamino]-3-ethylpiperidin-1-yl]-cyclopropylmethanone

[(3R,4R)-4-[(5-chlorofuran-2-yl)methylamino]-3-ethylpiperidin-1-yl]-cyclopropylmethanone (PubChem CID 97097445) has the molecular formula C16H23ClN2O2 and a molecular weight of 310.82 g/mol. Its IUPAC name is [(3R,4R)-4-[(5-chlorofuran-2-yl)methylamino]-3-ethylpiperidin-1-yl]-cyclopropylmethanone.

Molecular Properties

Compound Name[(3R,4R)-4-[(5-chlorofuran-2-yl)methylamino]-3-ethylpiperidin-1-yl]-cyclopropylmethanone
PubChem CID97097445
Molecular FormulaC16H23ClN2O2
Molecular Weight310.82 g/mol
Exact Mass310.14
IUPAC Name[(3R,4R)-4-[(5-chlorofuran-2-yl)methylamino]-3-ethylpiperidin-1-yl]-cyclopropylmethanone
SMILESCC[C@@H]1CN(C(=O)C2CC2)CC[C@H]1NCc1ccc(Cl)o1
InChIInChI=1S/C16H23ClN2O2/c1-2-11-10-19(16(20)12-3-4-12)8-7-14(11)18-9-13-5-6-15(17)21-13/h5-6,11-12,14,18H,2-4,7-10H2,1H3/t11-,14-/m1/s1
InChIKeyVZBIYSRSXNVHFT-BXUZGUMPSA-N
XLogP3.06
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.82
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [(3R,4R)-4-[(5-chlorofuran-2-yl)methylamino]-3-ethylpiperidin-1-yl]-cyclopropylmethanone with MolForge

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Related Compounds

cyclopropyl-[(3R,4R)-3-ethyl-4-[[5-(hydroxymethyl)furan-2-yl]methylamino]piperidin-1-yl]methanone
CID 97097433
1-[(3S,4S)-4-[(5-chlorofuran-2-yl)methylamino]-3-ethylpiperidin-1-yl]ethanone
CID 97097440
cyclopropyl-[(3S,4R)-3-ethyl-4-[(5-methylfuran-2-yl)methylamino]piperidin-1-yl]methanone
CID 97026938
cyclopropyl-[(3R,4R)-3-ethyl-4-[(5-methylfuran-2-yl)methylamino]piperidin-1-yl]methanone
CID 97026937
cyclopropyl-[(3R,4R)-3-ethyl-4-[(2-fluorophenyl)methylamino]piperidin-1-yl]methanone
CID 97097565
cyclopropyl-[(3S,4S)-3-ethyl-4-(pyridin-4-ylmethylamino)piperidin-1-yl]methanone
CID 97097572
1-[(3R,4S)-3-ethyl-4-[(5-methylfuran-2-yl)methylamino]piperidin-1-yl]ethanone
CID 97097423
1-[(3S,4R)-3-ethyl-4-[[5-(hydroxymethyl)furan-2-yl]methylamino]piperidin-1-yl]-2-methylpropan-1-one
CID 97026946
cyclopropyl-[(3S,4S)-4-(2,3-dihydro-1,4-benzodioxin-5-ylmethylamino)-3-ethylpiperidin-1-yl]methanone
CID 97026978
cyclopropyl-[(3R,4S)-4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)-3-ethylpiperidin-1-yl]methanone
CID 97097463
[(3S,4S)-4-(2H-chromen-3-ylmethylamino)-3-ethylpiperidin-1-yl]-cyclopropylmethanone
CID 97026862
[(3R,4R)-4-[(2-tert-butyl-1,3-thiazol-5-yl)methylamino]-3-ethylpiperidin-1-yl]-cyclopropylmethanone
CID 97097593

Frequently Asked Questions

What is the IUPAC name of [(3R,4R)-4-[(5-chlorofuran-2-yl)methylamino]-3-ethylpiperidin-1-yl]-cyclopropylmethanone?
The IUPAC name of [(3R,4R)-4-[(5-chlorofuran-2-yl)methylamino]-3-ethylpiperidin-1-yl]-cyclopropylmethanone (CID 97097445) is [(3R,4R)-4-[(5-chlorofuran-2-yl)methylamino]-3-ethylpiperidin-1-yl]-cyclopropylmethanone.
What is the SMILES notation for [(3R,4R)-4-[(5-chlorofuran-2-yl)methylamino]-3-ethylpiperidin-1-yl]-cyclopropylmethanone?
The canonical SMILES for [(3R,4R)-4-[(5-chlorofuran-2-yl)methylamino]-3-ethylpiperidin-1-yl]-cyclopropylmethanone is CC[C@@H]1CN(C(=O)C2CC2)CC[C@H]1NCc1ccc(Cl)o1.
What is the InChIKey of [(3R,4R)-4-[(5-chlorofuran-2-yl)methylamino]-3-ethylpiperidin-1-yl]-cyclopropylmethanone?
The InChIKey is VZBIYSRSXNVHFT-BXUZGUMPSA-N. The full InChI is InChI=1S/C16H23ClN2O2/c1-2-11-10-19(16(20)12-3-4-12)8-7-14(11)18-9-13-5-6-15(17)21-13/h5-6,11-12,14,18H,2-4,7-10H2,1H3/t11-,14-/m1/s1.
What are the key properties of [(3R,4R)-4-[(5-chlorofuran-2-yl)methylamino]-3-ethylpiperidin-1-yl]-cyclopropylmethanone?
[(3R,4R)-4-[(5-chlorofuran-2-yl)methylamino]-3-ethylpiperidin-1-yl]-cyclopropylmethanone has a molecular weight of 310.82 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4R)-4-[(5-chlorofuran-2-yl)methylamino]-3-ethylpiperidin-1-yl]-cyclopropylmethanone is sourced from PubChem (CID 97097445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).