[4-[[5-(oxan-2-yl)furan-2-yl]methyl]piperazin-1-yl]-(1H-pyrrol-2-yl)methanone

C19H25N3O3 — CID 77094411

IUPAC[4-[[5-(oxan-2-yl)furan-2-yl]methyl]piperazin-1-yl]-(1H-pyrrol-2-yl)methanone
SMILESO=C(c1ccc[nH]1)N1CCN(Cc2ccc(C3CCCCO3)o2)CC1
InChIInChI=1S/C19H25N3O3/c23-19(16-4-3-8-20-16)22-11-9-21(10-12-22)14-15-6-7-18(25-15)17-5-1-2-13-24-17/h3-4,6-8,17,20H,1-2,5,9-14H2
InChIKeyZWDNMHHNUXAJGZ-UHFFFAOYSA-N
MW343.43 g/mol
LogP2.81
Rot. Bonds4

About [4-[[5-(oxan-2-yl)furan-2-yl]methyl]piperazin-1-yl]-(1H-pyrrol-2-yl)methanone

[4-[[5-(oxan-2-yl)furan-2-yl]methyl]piperazin-1-yl]-(1H-pyrrol-2-yl)methanone (PubChem CID 77094411) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is [4-[[5-(oxan-2-yl)furan-2-yl]methyl]piperazin-1-yl]-(1H-pyrrol-2-yl)methanone.

Molecular Properties

Compound Name[4-[[5-(oxan-2-yl)furan-2-yl]methyl]piperazin-1-yl]-(1H-pyrrol-2-yl)methanone
PubChem CID77094411
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC Name[4-[[5-(oxan-2-yl)furan-2-yl]methyl]piperazin-1-yl]-(1H-pyrrol-2-yl)methanone
SMILESO=C(c1ccc[nH]1)N1CCN(Cc2ccc(C3CCCCO3)o2)CC1
InChIInChI=1S/C19H25N3O3/c23-19(16-4-3-8-20-16)22-11-9-21(10-12-22)14-15-6-7-18(25-15)17-5-1-2-13-24-17/h3-4,6-8,17,20H,1-2,5,9-14H2
InChIKeyZWDNMHHNUXAJGZ-UHFFFAOYSA-N
XLogP2.81
TPSA61.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [4-[[5-(oxan-2-yl)furan-2-yl]methyl]piperazin-1-yl]-(1H-pyrrol-2-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[[5-(oxan-2-yl)furan-2-yl]methyl]-1,2,4,5-tetrahydro-3-benzazepine
CID 163306536
4-(hydroxymethyl)-1-[[5-[(2S)-oxan-2-yl]furan-2-yl]methyl]piperidin-4-ol
CID 95203862
1-[(3-methyl-2-pyridinyl)methyl]-4-[[5-(oxan-2-yl)furan-2-yl]methyl]piperazine
CID 56900525
1-[[5-(oxan-2-yl)furan-2-yl]methyl]-4-(3-propan-2-yl-1H-pyrazol-5-yl)piperidine
CID 56709388
1'-[[5-(oxan-2-yl)furan-2-yl]methyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one
CID 131951371
oxolan-2-yl-[4-(1H-pyrrole-2-carbonyl)-1,4-diazepan-1-yl]methanone
CID 110807152
[4-[[5-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]furan-2-yl]methyl]piperazin-1-yl]-(1H-pyrrol-2-yl)methanone
CID 131947620
(4-ethylpiperazin-1-yl)-(1H-pyrrol-2-yl)methanone
CID 110690985
1-[[5-[(2S)-oxan-2-yl]furan-2-yl]methyl]-N-[3-(1H-pyrazol-5-yl)phenyl]piperidine-4-carboxamide
CID 42514151
4-[4-[[5-(oxan-2-yl)furan-2-yl]methyl]piperazin-1-yl]quinazoline
CID 56887626
3-methyl-8-[[5-(oxan-2-yl)furan-2-yl]methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 77095496
[(1S,6R)-7-bicyclo[4.1.0]heptanyl]-[4-(1H-pyrrole-2-carbonyl)-1,4-diazepan-1-yl]methanone
CID 95906377

Frequently Asked Questions

What is the IUPAC name of [4-[[5-(oxan-2-yl)furan-2-yl]methyl]piperazin-1-yl]-(1H-pyrrol-2-yl)methanone?
The IUPAC name of [4-[[5-(oxan-2-yl)furan-2-yl]methyl]piperazin-1-yl]-(1H-pyrrol-2-yl)methanone (CID 77094411) is [4-[[5-(oxan-2-yl)furan-2-yl]methyl]piperazin-1-yl]-(1H-pyrrol-2-yl)methanone.
What is the SMILES notation for [4-[[5-(oxan-2-yl)furan-2-yl]methyl]piperazin-1-yl]-(1H-pyrrol-2-yl)methanone?
The canonical SMILES for [4-[[5-(oxan-2-yl)furan-2-yl]methyl]piperazin-1-yl]-(1H-pyrrol-2-yl)methanone is O=C(c1ccc[nH]1)N1CCN(Cc2ccc(C3CCCCO3)o2)CC1.
What is the InChIKey of [4-[[5-(oxan-2-yl)furan-2-yl]methyl]piperazin-1-yl]-(1H-pyrrol-2-yl)methanone?
The InChIKey is ZWDNMHHNUXAJGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3/c23-19(16-4-3-8-20-16)22-11-9-21(10-12-22)14-15-6-7-18(25-15)17-5-1-2-13-24-17/h3-4,6-8,17,20H,1-2,5,9-14H2.
What are the key properties of [4-[[5-(oxan-2-yl)furan-2-yl]methyl]piperazin-1-yl]-(1H-pyrrol-2-yl)methanone?
[4-[[5-(oxan-2-yl)furan-2-yl]methyl]piperazin-1-yl]-(1H-pyrrol-2-yl)methanone has a molecular weight of 343.43 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[5-(oxan-2-yl)furan-2-yl]methyl]piperazin-1-yl]-(1H-pyrrol-2-yl)methanone is sourced from PubChem (CID 77094411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).