(4-methylpiperidin-1-yl)-[4-(3-phenoxypropyl)furo[3,2-b]pyrrol-5-yl]methanone

C22H26N2O3 — CID 42792619

IUPAC(4-methylpiperidin-1-yl)-[4-(3-phenoxypropyl)furo[3,2-b]pyrrol-5-yl]methanone
SMILESCC1CCN(C(=O)c2cc3occc3n2CCCOc2ccccc2)CC1
InChIInChI=1S/C22H26N2O3/c1-17-8-12-23(13-9-17)22(25)20-16-21-19(10-15-27-21)24(20)11-5-14-26-18-6-3-2-4-7-18/h2-4,6-7,10,15-17H,5,8-9,11-14H2,1H3
InChIKeyKDUDNEHANPTETK-UHFFFAOYSA-N
MW366.46 g/mol
LogP4.58
Rot. Bonds6

About (4-methylpiperidin-1-yl)-[4-(3-phenoxypropyl)furo[3,2-b]pyrrol-5-yl]methanone

(4-methylpiperidin-1-yl)-[4-(3-phenoxypropyl)furo[3,2-b]pyrrol-5-yl]methanone (PubChem CID 42792619) has the molecular formula C22H26N2O3 and a molecular weight of 366.46 g/mol. Its IUPAC name is (4-methylpiperidin-1-yl)-[4-(3-phenoxypropyl)furo[3,2-b]pyrrol-5-yl]methanone.

Molecular Properties

Compound Name(4-methylpiperidin-1-yl)-[4-(3-phenoxypropyl)furo[3,2-b]pyrrol-5-yl]methanone
PubChem CID42792619
Molecular FormulaC22H26N2O3
Molecular Weight366.46 g/mol
Exact Mass366.19
IUPAC Name(4-methylpiperidin-1-yl)-[4-(3-phenoxypropyl)furo[3,2-b]pyrrol-5-yl]methanone
SMILESCC1CCN(C(=O)c2cc3occc3n2CCCOc2ccccc2)CC1
InChIInChI=1S/C22H26N2O3/c1-17-8-12-23(13-9-17)22(25)20-16-21-19(10-15-27-21)24(20)11-5-14-26-18-6-3-2-4-7-18/h2-4,6-7,10,15-17H,5,8-9,11-14H2,1H3
InChIKeyKDUDNEHANPTETK-UHFFFAOYSA-N
XLogP4.58
TPSA47.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4-methylpiperidin-1-yl)-[4-(3-phenoxypropyl)furo[3,2-b]pyrrol-5-yl]methanone?
The IUPAC name of (4-methylpiperidin-1-yl)-[4-(3-phenoxypropyl)furo[3,2-b]pyrrol-5-yl]methanone (CID 42792619) is (4-methylpiperidin-1-yl)-[4-(3-phenoxypropyl)furo[3,2-b]pyrrol-5-yl]methanone.
What is the SMILES notation for (4-methylpiperidin-1-yl)-[4-(3-phenoxypropyl)furo[3,2-b]pyrrol-5-yl]methanone?
The canonical SMILES for (4-methylpiperidin-1-yl)-[4-(3-phenoxypropyl)furo[3,2-b]pyrrol-5-yl]methanone is CC1CCN(C(=O)c2cc3occc3n2CCCOc2ccccc2)CC1.
What is the InChIKey of (4-methylpiperidin-1-yl)-[4-(3-phenoxypropyl)furo[3,2-b]pyrrol-5-yl]methanone?
The InChIKey is KDUDNEHANPTETK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O3/c1-17-8-12-23(13-9-17)22(25)20-16-21-19(10-15-27-21)24(20)11-5-14-26-18-6-3-2-4-7-18/h2-4,6-7,10,15-17H,5,8-9,11-14H2,1H3.
What are the key properties of (4-methylpiperidin-1-yl)-[4-(3-phenoxypropyl)furo[3,2-b]pyrrol-5-yl]methanone?
(4-methylpiperidin-1-yl)-[4-(3-phenoxypropyl)furo[3,2-b]pyrrol-5-yl]methanone has a molecular weight of 366.46 g/mol, XLogP of 4.58, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylpiperidin-1-yl)-[4-(3-phenoxypropyl)furo[3,2-b]pyrrol-5-yl]methanone is sourced from PubChem (CID 42792619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).