[4-(dimethylamino)azepan-1-yl]-[5-(pyrrolidin-1-ylmethyl)furan-2-yl]methanone

C18H29N3O2 — CID 56897720

IUPAC[4-(dimethylamino)azepan-1-yl]-[5-(pyrrolidin-1-ylmethyl)furan-2-yl]methanone
SMILESCN(C)C1CCCN(C(=O)c2ccc(CN3CCCC3)o2)CC1
InChIInChI=1S/C18H29N3O2/c1-19(2)15-6-5-12-21(13-9-15)18(22)17-8-7-16(23-17)14-20-10-3-4-11-20/h7-8,15H,3-6,9-14H2,1-2H3
InChIKeyWXHZJKWWNPGRTD-UHFFFAOYSA-N
MW319.45 g/mol
LogP2.43
Rot. Bonds4

About [4-(dimethylamino)azepan-1-yl]-[5-(pyrrolidin-1-ylmethyl)furan-2-yl]methanone

[4-(dimethylamino)azepan-1-yl]-[5-(pyrrolidin-1-ylmethyl)furan-2-yl]methanone (PubChem CID 56897720) has the molecular formula C18H29N3O2 and a molecular weight of 319.45 g/mol. Its IUPAC name is [4-(dimethylamino)azepan-1-yl]-[5-(pyrrolidin-1-ylmethyl)furan-2-yl]methanone.

Molecular Properties

Compound Name[4-(dimethylamino)azepan-1-yl]-[5-(pyrrolidin-1-ylmethyl)furan-2-yl]methanone
PubChem CID56897720
Molecular FormulaC18H29N3O2
Molecular Weight319.45 g/mol
Exact Mass319.23
IUPAC Name[4-(dimethylamino)azepan-1-yl]-[5-(pyrrolidin-1-ylmethyl)furan-2-yl]methanone
SMILESCN(C)C1CCCN(C(=O)c2ccc(CN3CCCC3)o2)CC1
InChIInChI=1S/C18H29N3O2/c1-19(2)15-6-5-12-21(13-9-15)18(22)17-8-7-16(23-17)14-20-10-3-4-11-20/h7-8,15H,3-6,9-14H2,1-2H3
InChIKeyWXHZJKWWNPGRTD-UHFFFAOYSA-N
XLogP2.43
TPSA39.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [4-(dimethylamino)azepan-1-yl]-[5-(pyrrolidin-1-ylmethyl)furan-2-yl]methanone with MolForge

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Related Compounds

[5-[(4-hydroxypiperidin-1-yl)methyl]furan-2-yl]-piperidin-1-ylmethanone
CID 15675405
[5-(pyrrolidin-1-ylmethyl)furan-2-yl]-[4-(trifluoromethoxy)piperidin-1-yl]methanone
CID 163309144
[4-(4-fluorophenoxy)piperidin-1-yl]-[5-(pyrrolidin-1-ylmethyl)furan-2-yl]methanone
CID 70729318
N-cycloheptyl-1-[5-(pyrrolidin-1-ylmethyl)furan-2-carbonyl]piperidine-4-carboxamide
CID 131947127
[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-[5-(pyrrolidin-1-ylmethyl)furan-2-yl]methanone
CID 131918948
[(3S,4R)-3,4-dihydroxy-4-methylpiperidin-1-yl]-[5-(pyrrolidin-1-ylmethyl)furan-2-yl]methanone
CID 72850046
oxalic acid;5-(piperidin-1-ylmethyl)furan-2-carboxylic acid
CID 45156284
[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-[5-(pyrrolidin-1-ylmethyl)furan-2-yl]methanone
CID 74241802
[(3R,4R)-3-(hydroxymethyl)-4-(piperidin-1-ylmethyl)pyrrolidin-1-yl]-[5-(pyrrolidin-1-ylmethyl)furan-2-yl]methanone
CID 70713605
[4-(4-methoxyphenyl)piperazin-1-yl]-[5-(piperidin-1-ylmethyl)furan-2-yl]methanone
CID 35333195
(3R)-N,N-dimethyl-1-[(5-propylfuran-2-yl)methyl]piperidin-3-amine
CID 99946183
4-[(3S)-1-[5-(pyrrolidin-1-ylmethyl)furan-2-carbonyl]piperidin-3-yl]-1H-pyrimidin-6-one
CID 136801295

Frequently Asked Questions

What is the IUPAC name of [4-(dimethylamino)azepan-1-yl]-[5-(pyrrolidin-1-ylmethyl)furan-2-yl]methanone?
The IUPAC name of [4-(dimethylamino)azepan-1-yl]-[5-(pyrrolidin-1-ylmethyl)furan-2-yl]methanone (CID 56897720) is [4-(dimethylamino)azepan-1-yl]-[5-(pyrrolidin-1-ylmethyl)furan-2-yl]methanone.
What is the SMILES notation for [4-(dimethylamino)azepan-1-yl]-[5-(pyrrolidin-1-ylmethyl)furan-2-yl]methanone?
The canonical SMILES for [4-(dimethylamino)azepan-1-yl]-[5-(pyrrolidin-1-ylmethyl)furan-2-yl]methanone is CN(C)C1CCCN(C(=O)c2ccc(CN3CCCC3)o2)CC1.
What is the InChIKey of [4-(dimethylamino)azepan-1-yl]-[5-(pyrrolidin-1-ylmethyl)furan-2-yl]methanone?
The InChIKey is WXHZJKWWNPGRTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O2/c1-19(2)15-6-5-12-21(13-9-15)18(22)17-8-7-16(23-17)14-20-10-3-4-11-20/h7-8,15H,3-6,9-14H2,1-2H3.
What are the key properties of [4-(dimethylamino)azepan-1-yl]-[5-(pyrrolidin-1-ylmethyl)furan-2-yl]methanone?
[4-(dimethylamino)azepan-1-yl]-[5-(pyrrolidin-1-ylmethyl)furan-2-yl]methanone has a molecular weight of 319.45 g/mol, XLogP of 2.43, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(dimethylamino)azepan-1-yl]-[5-(pyrrolidin-1-ylmethyl)furan-2-yl]methanone is sourced from PubChem (CID 56897720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).