1-[(3S,4S)-4-[(5-chlorofuran-2-yl)methylamino]-3-ethylpiperidin-1-yl]ethanone

C14H21ClN2O2 — CID 97097440

IUPAC1-[(3S,4S)-4-[(5-chlorofuran-2-yl)methylamino]-3-ethylpiperidin-1-yl]ethanone
SMILESCC[C@H]1CN(C(C)=O)CC[C@@H]1NCc1ccc(Cl)o1
InChIInChI=1S/C14H21ClN2O2/c1-3-11-9-17(10(2)18)7-6-13(11)16-8-12-4-5-14(15)19-12/h4-5,11,13,16H,3,6-9H2,1-2H3/t11-,13-/m0/s1
InChIKeyPQCOJTULFLTGJK-AAEUAGOBSA-N
MW284.79 g/mol
LogP2.67
Rot. Bonds4

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

1-[(3S,4S)-4-[(5-chlorofuran-2-yl)methylamino]-3-ethylpiperidin-1-yl]ethanone (PubChem CID 97097440) has the molecular formula C14H21ClN2O2 and a molecular weight of 284.79 g/mol. Its IUPAC name is 1-[(3S,4S)-4-[(5-chlorofuran-2-yl)methylamino]-3-ethylpiperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[(3S,4S)-4-[(5-chlorofuran-2-yl)methylamino]-3-ethylpiperidin-1-yl]ethanone
PubChem CID97097440
Molecular FormulaC14H21ClN2O2
Molecular Weight284.79 g/mol
Exact Mass284.13
IUPAC Name1-[(3S,4S)-4-[(5-chlorofuran-2-yl)methylamino]-3-ethylpiperidin-1-yl]ethanone
SMILESCC[C@H]1CN(C(C)=O)CC[C@@H]1NCc1ccc(Cl)o1
InChIInChI=1S/C14H21ClN2O2/c1-3-11-9-17(10(2)18)7-6-13(11)16-8-12-4-5-14(15)19-12/h4-5,11,13,16H,3,6-9H2,1-2H3/t11-,13-/m0/s1
InChIKeyPQCOJTULFLTGJK-AAEUAGOBSA-N
XLogP2.67
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.79
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(3R,4R)-4-[(5-chlorofuran-2-yl)methylamino]-3-ethylpiperidin-1-yl]-cyclopropylmethanone
CID 97097445
1-[(3R,4S)-3-ethyl-4-[(5-methylfuran-2-yl)methylamino]piperidin-1-yl]ethanone
CID 97097423
cyclopropyl-[(3R,4R)-3-ethyl-4-[[5-(hydroxymethyl)furan-2-yl]methylamino]piperidin-1-yl]methanone
CID 97097433
1-[(3R,4R)-3-ethyl-4-[(4-ethylphenyl)methylamino]piperidin-1-yl]ethanone
CID 96996485
1-[(3S,4R)-3-ethyl-4-[[5-(hydroxymethyl)furan-2-yl]methylamino]piperidin-1-yl]-2-methylpropan-1-one
CID 97026946
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
1-[3-ethyl-4-[(7-methoxy-1-benzofuran-2-yl)methylamino]piperidin-1-yl]ethanone
CID 71927456
1-[(3R,4S)-4-[(5-bromothiophen-2-yl)methylamino]-3-ethylpiperidin-1-yl]ethanone
CID 97097451
[5-[[[(3R,4R)-3-ethyl-1-methylsulfonylpiperidin-4-yl]amino]methyl]furan-2-yl]methanol
CID 124743357
1-[3-ethyl-4-[[2-fluoro-5-(trifluoromethyl)phenyl]methylamino]piperidin-1-yl]ethanone
CID 71927424
1-[(3S,4S)-3-ethyl-4-[[2-fluoro-5-(trifluoromethyl)phenyl]methylamino]piperidin-1-yl]ethanone
CID 97097300

Frequently Asked Questions

What is the IUPAC name of 1-[(3S,4S)-4-[(5-chlorofuran-2-yl)methylamino]-3-ethylpiperidin-1-yl]ethanone?
The IUPAC name of 1-[(3S,4S)-4-[(5-chlorofuran-2-yl)methylamino]-3-ethylpiperidin-1-yl]ethanone (CID 97097440) is 1-[(3S,4S)-4-[(5-chlorofuran-2-yl)methylamino]-3-ethylpiperidin-1-yl]ethanone.
What is the SMILES notation for 1-[(3S,4S)-4-[(5-chlorofuran-2-yl)methylamino]-3-ethylpiperidin-1-yl]ethanone?
The canonical SMILES for 1-[(3S,4S)-4-[(5-chlorofuran-2-yl)methylamino]-3-ethylpiperidin-1-yl]ethanone is CC[C@H]1CN(C(C)=O)CC[C@@H]1NCc1ccc(Cl)o1.
What is the InChIKey of 1-[(3S,4S)-4-[(5-chlorofuran-2-yl)methylamino]-3-ethylpiperidin-1-yl]ethanone?
The InChIKey is PQCOJTULFLTGJK-AAEUAGOBSA-N. The full InChI is InChI=1S/C14H21ClN2O2/c1-3-11-9-17(10(2)18)7-6-13(11)16-8-12-4-5-14(15)19-12/h4-5,11,13,16H,3,6-9H2,1-2H3/t11-,13-/m0/s1.
What are the key properties of 1-[(3S,4S)-4-[(5-chlorofuran-2-yl)methylamino]-3-ethylpiperidin-1-yl]ethanone?
1-[(3S,4S)-4-[(5-chlorofuran-2-yl)methylamino]-3-ethylpiperidin-1-yl]ethanone has a molecular weight of 284.79 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S,4S)-4-[(5-chlorofuran-2-yl)methylamino]-3-ethylpiperidin-1-yl]ethanone is sourced from PubChem (CID 97097440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).