1-[[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methyl]-4-[[(2S)-oxolan-2-yl]methoxy]piperidine

C19H29NO3 — CID 97157966

IUPAC1-[[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methyl]-4-[[(2S)-oxolan-2-yl]methoxy]piperidine
SMILESC[C@@H]1C[C@@H]1c1ccc(CN2CCC(OC[C@@H]3CCCO3)CC2)o1
InChIInChI=1S/C19H29NO3/c1-14-11-18(14)19-5-4-16(23-19)12-20-8-6-15(7-9-20)22-13-17-3-2-10-21-17/h4-5,14-15,17-18H,2-3,6-13H2,1H3/t14-,17+,18+/m1/s1
InChIKeySNPFBPXJLNNIRB-JLSDUUJJSA-N
MW319.45 g/mol
LogP3.56
Rot. Bonds6

About 1-[[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methyl]-4-[[(2S)-oxolan-2-yl]methoxy]piperidine

1-[[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methyl]-4-[[(2S)-oxolan-2-yl]methoxy]piperidine (PubChem CID 97157966) has the molecular formula C19H29NO3 and a molecular weight of 319.45 g/mol. Its IUPAC name is 1-[[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methyl]-4-[[(2S)-oxolan-2-yl]methoxy]piperidine.

Molecular Properties

Compound Name1-[[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methyl]-4-[[(2S)-oxolan-2-yl]methoxy]piperidine
PubChem CID97157966
Molecular FormulaC19H29NO3
Molecular Weight319.45 g/mol
Exact Mass319.21
IUPAC Name1-[[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methyl]-4-[[(2S)-oxolan-2-yl]methoxy]piperidine
SMILESC[C@@H]1C[C@@H]1c1ccc(CN2CCC(OC[C@@H]3CCCO3)CC2)o1
InChIInChI=1S/C19H29NO3/c1-14-11-18(14)19-5-4-16(23-19)12-20-8-6-15(7-9-20)22-13-17-3-2-10-21-17/h4-5,14-15,17-18H,2-3,6-13H2,1H3/t14-,17+,18+/m1/s1
InChIKeySNPFBPXJLNNIRB-JLSDUUJJSA-N
XLogP3.56
TPSA34.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methyl]-4-[[(2S)-oxolan-2-yl]methoxy]piperidine with MolForge

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Related Compounds

1-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]piperidine-4-carboxylic acid
CID 65056448
methyl 2-[(2R)-4-[[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methyl]morpholin-2-yl]acetate
CID 97159681
2-(4-methylphenyl)-5-[[4-(oxan-2-ylmethoxy)piperidin-1-yl]methyl]-1,3,4-oxadiazole
CID 127418614
1-[(4-chloro-1-methylpyrazol-5-yl)methyl]-4-[[(2R)-oxan-2-yl]methoxy]piperidine
CID 124619404
1-(4-methylphenyl)-2-[4-(oxolan-2-ylmethoxy)piperidin-1-yl]ethanol
CID 111916541
4-[[(2R)-oxolan-2-yl]methoxy]-1-[(2-pyrazol-1-ylphenyl)methyl]piperidine
CID 97157965
3-[[4-[[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]methyl]piperazin-1-yl]methyl]-1,2-oxazole
CID 97159928
2-[ethyl-[1-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]piperidin-4-yl]amino]acetic acid
CID 122043157
N-[(3S)-1-[[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methyl]piperidin-3-yl]methanesulfonamide
CID 97332274
5-methyl-4-[[4-(oxan-2-ylmethoxy)piperidin-1-yl]methyl]thiophene-2-carboxylic acid
CID 136550700
(1S)-2-[4-[[(2S)-oxan-2-yl]methoxy]piperidin-1-yl]-1-phenylethanol
CID 124883143
6-[4-(oxolan-2-ylmethoxy)piperidin-1-yl]pyridazine-3-carbonitrile
CID 133419117

Frequently Asked Questions

What is the IUPAC name of 1-[[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methyl]-4-[[(2S)-oxolan-2-yl]methoxy]piperidine?
The IUPAC name of 1-[[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methyl]-4-[[(2S)-oxolan-2-yl]methoxy]piperidine (CID 97157966) is 1-[[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methyl]-4-[[(2S)-oxolan-2-yl]methoxy]piperidine.
What is the SMILES notation for 1-[[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methyl]-4-[[(2S)-oxolan-2-yl]methoxy]piperidine?
The canonical SMILES for 1-[[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methyl]-4-[[(2S)-oxolan-2-yl]methoxy]piperidine is C[C@@H]1C[C@@H]1c1ccc(CN2CCC(OC[C@@H]3CCCO3)CC2)o1.
What is the InChIKey of 1-[[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methyl]-4-[[(2S)-oxolan-2-yl]methoxy]piperidine?
The InChIKey is SNPFBPXJLNNIRB-JLSDUUJJSA-N. The full InChI is InChI=1S/C19H29NO3/c1-14-11-18(14)19-5-4-16(23-19)12-20-8-6-15(7-9-20)22-13-17-3-2-10-21-17/h4-5,14-15,17-18H,2-3,6-13H2,1H3/t14-,17+,18+/m1/s1.
What are the key properties of 1-[[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methyl]-4-[[(2S)-oxolan-2-yl]methoxy]piperidine?
1-[[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methyl]-4-[[(2S)-oxolan-2-yl]methoxy]piperidine has a molecular weight of 319.45 g/mol, XLogP of 3.56, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methyl]-4-[[(2S)-oxolan-2-yl]methoxy]piperidine is sourced from PubChem (CID 97157966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).