(3-methylfuran-2-yl)-[4-[(3S)-1-(2-phenylethyl)pyrrolidin-3-yl]piperidin-1-yl]methanone

C23H30N2O2 — CID 26316106

IUPAC(3-methylfuran-2-yl)-[4-[(3S)-1-(2-phenylethyl)pyrrolidin-3-yl]piperidin-1-yl]methanone
SMILESCc1ccoc1C(=O)N1CCC([C@@H]2CCN(CCc3ccccc3)C2)CC1
InChIInChI=1S/C23H30N2O2/c1-18-11-16-27-22(18)23(26)25-14-9-20(10-15-25)21-8-13-24(17-21)12-7-19-5-3-2-4-6-19/h2-6,11,16,20-21H,7-10,12-15,17H2,1H3/t21-/m1/s1
InChIKeyFEPQCRKOAPSEOQ-OAQYLSRUSA-N
MW366.50 g/mol
LogP4.00
Rot. Bonds5

About (3-methylfuran-2-yl)-[4-[(3S)-1-(2-phenylethyl)pyrrolidin-3-yl]piperidin-1-yl]methanone

(3-methylfuran-2-yl)-[4-[(3S)-1-(2-phenylethyl)pyrrolidin-3-yl]piperidin-1-yl]methanone (PubChem CID 26316106) has the molecular formula C23H30N2O2 and a molecular weight of 366.50 g/mol. Its IUPAC name is (3-methylfuran-2-yl)-[4-[(3S)-1-(2-phenylethyl)pyrrolidin-3-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3-methylfuran-2-yl)-[4-[(3S)-1-(2-phenylethyl)pyrrolidin-3-yl]piperidin-1-yl]methanone
PubChem CID26316106
Molecular FormulaC23H30N2O2
Molecular Weight366.50 g/mol
Exact Mass366.23
IUPAC Name(3-methylfuran-2-yl)-[4-[(3S)-1-(2-phenylethyl)pyrrolidin-3-yl]piperidin-1-yl]methanone
SMILESCc1ccoc1C(=O)N1CCC([C@@H]2CCN(CCc3ccccc3)C2)CC1
InChIInChI=1S/C23H30N2O2/c1-18-11-16-27-22(18)23(26)25-14-9-20(10-15-25)21-8-13-24(17-21)12-7-19-5-3-2-4-6-19/h2-6,11,16,20-21H,7-10,12-15,17H2,1H3/t21-/m1/s1
InChIKeyFEPQCRKOAPSEOQ-OAQYLSRUSA-N
XLogP4.00
TPSA36.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.50
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3-methylfuran-2-yl)-[4-[(3R)-1-(2-phenylethyl)pyrrolidin-3-yl]piperidin-1-yl]methanone
CID 26316109
furan-3-yl-[4-[1-(2-phenylethyl)pyrrolidin-3-yl]piperidin-1-yl]methanone
CID 45238952
[(3S,4S)-3-hydroxy-4-[4-(2-phenylethyl)piperazin-1-yl]piperidin-1-yl]-(3-methylfuran-2-yl)methanone
CID 133119092
(3-methyl-2-pyridinyl)-[4-[(3S)-1-(2-phenylethyl)pyrrolidin-3-yl]piperidin-1-yl]methanone
CID 42244536
(4-benzylpiperazin-1-yl)-(3-methylfuran-2-yl)methanone
CID 110695645
(4-hydroxycyclohexyl)-[4-[(3S)-1-(2-phenylethyl)pyrrolidin-3-yl]piperidin-1-yl]methanone
CID 42287691
[(5aS,9aR)-4-[2-(dimethylamino)ethyl]-2,3,5,5a,6,7,9,9a-octahydropyrido[4,3-f][1,4]oxazepin-8-yl]-(3-methylfuran-2-yl)methanone
CID 124804015
N-cyclopropyl-2-[4-[1-(2-phenylethyl)pyrrolidin-3-yl]piperidin-1-yl]acetamide
CID 56893950
N,N-dimethyl-4-[1-(2-phenylethyl)pyrrolidin-3-yl]piperidine-1-sulfonamide
CID 45245585
1-(3-methylfuran-2-carbonyl)piperidine-4-carboxamide
CID 32823446
1-(2-phenylethyl)piperidine-3,4-dicarboxylic acid
CID 115918716
[3-[1-(2-phenylethyl)piperidin-4-yl]pyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone
CID 45221954

Frequently Asked Questions

What is the IUPAC name of (3-methylfuran-2-yl)-[4-[(3S)-1-(2-phenylethyl)pyrrolidin-3-yl]piperidin-1-yl]methanone?
The IUPAC name of (3-methylfuran-2-yl)-[4-[(3S)-1-(2-phenylethyl)pyrrolidin-3-yl]piperidin-1-yl]methanone (CID 26316106) is (3-methylfuran-2-yl)-[4-[(3S)-1-(2-phenylethyl)pyrrolidin-3-yl]piperidin-1-yl]methanone.
What is the SMILES notation for (3-methylfuran-2-yl)-[4-[(3S)-1-(2-phenylethyl)pyrrolidin-3-yl]piperidin-1-yl]methanone?
The canonical SMILES for (3-methylfuran-2-yl)-[4-[(3S)-1-(2-phenylethyl)pyrrolidin-3-yl]piperidin-1-yl]methanone is Cc1ccoc1C(=O)N1CCC([C@@H]2CCN(CCc3ccccc3)C2)CC1.
What is the InChIKey of (3-methylfuran-2-yl)-[4-[(3S)-1-(2-phenylethyl)pyrrolidin-3-yl]piperidin-1-yl]methanone?
The InChIKey is FEPQCRKOAPSEOQ-OAQYLSRUSA-N. The full InChI is InChI=1S/C23H30N2O2/c1-18-11-16-27-22(18)23(26)25-14-9-20(10-15-25)21-8-13-24(17-21)12-7-19-5-3-2-4-6-19/h2-6,11,16,20-21H,7-10,12-15,17H2,1H3/t21-/m1/s1.
What are the key properties of (3-methylfuran-2-yl)-[4-[(3S)-1-(2-phenylethyl)pyrrolidin-3-yl]piperidin-1-yl]methanone?
(3-methylfuran-2-yl)-[4-[(3S)-1-(2-phenylethyl)pyrrolidin-3-yl]piperidin-1-yl]methanone has a molecular weight of 366.50 g/mol, XLogP of 4.00, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylfuran-2-yl)-[4-[(3S)-1-(2-phenylethyl)pyrrolidin-3-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 26316106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).