[(2R)-1-[5-[(dimethylamino)methyl]furan-2-carbonyl]piperazin-2-yl]-pyrrolidin-1-ylmethanone

C17H26N4O3 — CID 95715274

IUPAC[(2R)-1-[5-[(dimethylamino)methyl]furan-2-carbonyl]piperazin-2-yl]-pyrrolidin-1-ylmethanone
SMILESCN(C)Cc1ccc(C(=O)N2CCNC[C@@H]2C(=O)N2CCCC2)o1
InChIInChI=1S/C17H26N4O3/c1-19(2)12-13-5-6-15(24-13)17(23)21-10-7-18-11-14(21)16(22)20-8-3-4-9-20/h5-6,14,18H,3-4,7-12H2,1-2H3/t14-/m1/s1
InChIKeySJBMDVJCQJTYHX-CQSZACIVSA-N
MW334.42 g/mol
LogP0.38
Rot. Bonds4

About [(2R)-1-[5-[(dimethylamino)methyl]furan-2-carbonyl]piperazin-2-yl]-pyrrolidin-1-ylmethanone

[(2R)-1-[5-[(dimethylamino)methyl]furan-2-carbonyl]piperazin-2-yl]-pyrrolidin-1-ylmethanone (PubChem CID 95715274) has the molecular formula C17H26N4O3 and a molecular weight of 334.42 g/mol. Its IUPAC name is [(2R)-1-[5-[(dimethylamino)methyl]furan-2-carbonyl]piperazin-2-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[(2R)-1-[5-[(dimethylamino)methyl]furan-2-carbonyl]piperazin-2-yl]-pyrrolidin-1-ylmethanone
PubChem CID95715274
Molecular FormulaC17H26N4O3
Molecular Weight334.42 g/mol
Exact Mass334.20
IUPAC Name[(2R)-1-[5-[(dimethylamino)methyl]furan-2-carbonyl]piperazin-2-yl]-pyrrolidin-1-ylmethanone
SMILESCN(C)Cc1ccc(C(=O)N2CCNC[C@@H]2C(=O)N2CCCC2)o1
InChIInChI=1S/C17H26N4O3/c1-19(2)12-13-5-6-15(24-13)17(23)21-10-7-18-11-14(21)16(22)20-8-3-4-9-20/h5-6,14,18H,3-4,7-12H2,1-2H3/t14-/m1/s1
InChIKeySJBMDVJCQJTYHX-CQSZACIVSA-N
XLogP0.38
TPSA69.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [(2R)-1-[5-[(dimethylamino)methyl]furan-2-carbonyl]piperazin-2-yl]-pyrrolidin-1-ylmethanone 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)-1-[2-[(dimethylamino)methyl]-1,3-thiazole-4-carbonyl]piperazin-2-yl]-pyrrolidin-1-ylmethanone
CID 95728739
[1-(3-hydroxy-4-methylbenzoyl)piperazin-2-yl]-pyrrolidin-1-ylmethanone
CID 56891026
[1-(2,6-difluoro-3-methylbenzoyl)piperazin-2-yl]-pyrrolidin-1-ylmethanone
CID 56898451
[5-[(dimethylamino)methyl]furan-2-yl]-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 131932023
4-phenyl-1-[(2S)-2-(pyrrolidine-1-carbonyl)piperazin-1-yl]butan-1-one
CID 95717871
5-[(dimethylamino)methyl]-N-[(3S,4R)-4-hydroxypiperidin-3-yl]furan-2-carboxamide
CID 122568011
pyrrolidin-1-yl-[(2S)-1-(quinoline-3-carbonyl)piperazin-2-yl]methanone
CID 95723967
[5-[(dimethylamino)methyl]furan-2-yl]-[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]methanone
CID 70758255
[5-[(dimethylamino)methyl]furan-2-yl]-[3-(hydroxymethyl)-3-prop-2-enylpiperidin-1-yl]methanone
CID 72870589
[(2R)-1-[2-(2-ethoxyethyl)-5-methylpyrazole-3-carbonyl]piperazin-2-yl]-pyrrolidin-1-ylmethanone
CID 95726530
6-methyl-4-[(2S)-2-(pyrrolidine-1-carbonyl)piperazine-1-carbonyl]-1H-quinolin-2-one
CID 95722562
(5-methylfuran-2-yl)-[(2S)-2-methylpiperazin-1-yl]methanone
CID 82704923

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-[5-[(dimethylamino)methyl]furan-2-carbonyl]piperazin-2-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [(2R)-1-[5-[(dimethylamino)methyl]furan-2-carbonyl]piperazin-2-yl]-pyrrolidin-1-ylmethanone (CID 95715274) is [(2R)-1-[5-[(dimethylamino)methyl]furan-2-carbonyl]piperazin-2-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [(2R)-1-[5-[(dimethylamino)methyl]furan-2-carbonyl]piperazin-2-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [(2R)-1-[5-[(dimethylamino)methyl]furan-2-carbonyl]piperazin-2-yl]-pyrrolidin-1-ylmethanone is CN(C)Cc1ccc(C(=O)N2CCNC[C@@H]2C(=O)N2CCCC2)o1.
What is the InChIKey of [(2R)-1-[5-[(dimethylamino)methyl]furan-2-carbonyl]piperazin-2-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is SJBMDVJCQJTYHX-CQSZACIVSA-N. The full InChI is InChI=1S/C17H26N4O3/c1-19(2)12-13-5-6-15(24-13)17(23)21-10-7-18-11-14(21)16(22)20-8-3-4-9-20/h5-6,14,18H,3-4,7-12H2,1-2H3/t14-/m1/s1.
What are the key properties of [(2R)-1-[5-[(dimethylamino)methyl]furan-2-carbonyl]piperazin-2-yl]-pyrrolidin-1-ylmethanone?
[(2R)-1-[5-[(dimethylamino)methyl]furan-2-carbonyl]piperazin-2-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 334.42 g/mol, XLogP of 0.38, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-[5-[(dimethylamino)methyl]furan-2-carbonyl]piperazin-2-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 95715274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).