3-(1H-imidazol-5-ylmethyl)-4-[5-(pyrrolidin-1-ylmethyl)furan-2-carbonyl]piperazin-2-one

C18H23N5O3 — CID 74236705

IUPAC3-(1H-imidazol-5-ylmethyl)-4-[5-(pyrrolidin-1-ylmethyl)furan-2-carbonyl]piperazin-2-one
SMILESO=C1NCCN(C(=O)c2ccc(CN3CCCC3)o2)C1Cc1cnc[nH]1
InChIInChI=1S/C18H23N5O3/c24-17-15(9-13-10-19-12-21-13)23(8-5-20-17)18(25)16-4-3-14(26-16)11-22-6-1-2-7-22/h3-4,10,12,15H,1-2,5-9,11H2,(H,19,21)(H,20,24)
InChIKeyNECMZFMGQZCRDN-UHFFFAOYSA-N
MW357.41 g/mol
LogP0.78
Rot. Bonds5

About 3-(1H-imidazol-5-ylmethyl)-4-[5-(pyrrolidin-1-ylmethyl)furan-2-carbonyl]piperazin-2-one

3-(1H-imidazol-5-ylmethyl)-4-[5-(pyrrolidin-1-ylmethyl)furan-2-carbonyl]piperazin-2-one (PubChem CID 74236705) has the molecular formula C18H23N5O3 and a molecular weight of 357.41 g/mol. Its IUPAC name is 3-(1H-imidazol-5-ylmethyl)-4-[5-(pyrrolidin-1-ylmethyl)furan-2-carbonyl]piperazin-2-one.

Molecular Properties

Compound Name3-(1H-imidazol-5-ylmethyl)-4-[5-(pyrrolidin-1-ylmethyl)furan-2-carbonyl]piperazin-2-one
PubChem CID74236705
Molecular FormulaC18H23N5O3
Molecular Weight357.41 g/mol
Exact Mass357.18
IUPAC Name3-(1H-imidazol-5-ylmethyl)-4-[5-(pyrrolidin-1-ylmethyl)furan-2-carbonyl]piperazin-2-one
SMILESO=C1NCCN(C(=O)c2ccc(CN3CCCC3)o2)C1Cc1cnc[nH]1
InChIInChI=1S/C18H23N5O3/c24-17-15(9-13-10-19-12-21-13)23(8-5-20-17)18(25)16-4-3-14(26-16)11-22-6-1-2-7-22/h3-4,10,12,15H,1-2,5-9,11H2,(H,19,21)(H,20,24)
InChIKeyNECMZFMGQZCRDN-UHFFFAOYSA-N
XLogP0.78
TPSA94.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-(1H-imidazol-5-ylmethyl)-4-[5-(pyrrolidin-1-ylmethyl)furan-2-carbonyl]piperazin-2-one 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

(2S)-N-[3-(butanoylamino)phenyl]-2-(1H-imidazol-5-ylmethyl)-3-oxopiperazine-1-carboxamide
CID 97269808
(2R)-N-(4-cyano-2-ethylphenyl)-2-(1H-imidazol-5-ylmethyl)-3-oxopiperazine-1-carboxamide
CID 97285904
N-(2-oxoazepan-3-yl)-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide
CID 131897507
4-[(3S)-1-[5-(pyrrolidin-1-ylmethyl)furan-2-carbonyl]piperidin-3-yl]-1H-pyrimidin-6-one
CID 136801295
1-(1H-imidazol-5-ylmethyl)piperidine;dihydrochloride
CID 174338495
1,5-bis(1H-imidazol-5-ylmethyl)-1,5-diazocane
CID 71447015
formic acid;(6R,11R)-11-hydroxy-8-[5-(pyrrolidin-1-ylmethyl)furan-2-carbonyl]-2,8-diazaspiro[5.5]undecan-1-one
CID 166599048
4-(5-bromofuran-2-carbonyl)-3-methylpiperazin-2-one
CID 63079543
[5-[(4-hydroxypiperidin-1-yl)methyl]furan-2-yl]-piperidin-1-ylmethanone
CID 15675405
dodecyl 2-[1-(5-bromofuran-2-carbonyl)-3-oxopiperazin-2-yl]acetate
CID 17086341
oxalic acid;5-(piperidin-1-ylmethyl)furan-2-carboxylic acid
CID 45156284
[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-[5-(pyrrolidin-1-ylmethyl)furan-2-yl]methanone
CID 131918948

Frequently Asked Questions

What is the IUPAC name of 3-(1H-imidazol-5-ylmethyl)-4-[5-(pyrrolidin-1-ylmethyl)furan-2-carbonyl]piperazin-2-one?
The IUPAC name of 3-(1H-imidazol-5-ylmethyl)-4-[5-(pyrrolidin-1-ylmethyl)furan-2-carbonyl]piperazin-2-one (CID 74236705) is 3-(1H-imidazol-5-ylmethyl)-4-[5-(pyrrolidin-1-ylmethyl)furan-2-carbonyl]piperazin-2-one.
What is the SMILES notation for 3-(1H-imidazol-5-ylmethyl)-4-[5-(pyrrolidin-1-ylmethyl)furan-2-carbonyl]piperazin-2-one?
The canonical SMILES for 3-(1H-imidazol-5-ylmethyl)-4-[5-(pyrrolidin-1-ylmethyl)furan-2-carbonyl]piperazin-2-one is O=C1NCCN(C(=O)c2ccc(CN3CCCC3)o2)C1Cc1cnc[nH]1.
What is the InChIKey of 3-(1H-imidazol-5-ylmethyl)-4-[5-(pyrrolidin-1-ylmethyl)furan-2-carbonyl]piperazin-2-one?
The InChIKey is NECMZFMGQZCRDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O3/c24-17-15(9-13-10-19-12-21-13)23(8-5-20-17)18(25)16-4-3-14(26-16)11-22-6-1-2-7-22/h3-4,10,12,15H,1-2,5-9,11H2,(H,19,21)(H,20,24).
What are the key properties of 3-(1H-imidazol-5-ylmethyl)-4-[5-(pyrrolidin-1-ylmethyl)furan-2-carbonyl]piperazin-2-one?
3-(1H-imidazol-5-ylmethyl)-4-[5-(pyrrolidin-1-ylmethyl)furan-2-carbonyl]piperazin-2-one has a molecular weight of 357.41 g/mol, XLogP of 0.78, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-imidazol-5-ylmethyl)-4-[5-(pyrrolidin-1-ylmethyl)furan-2-carbonyl]piperazin-2-one is sourced from PubChem (CID 74236705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).