(3S)-N-[(5-methylfuran-2-yl)methyl]-6-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-3-carboxamide

C19H27N3O4 — CID 97113305

IUPAC(3S)-N-[(5-methylfuran-2-yl)methyl]-6-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-3-carboxamide
SMILESCc1ccc(CNC(=O)[C@H]2CCC(=O)N(CCCN3CCCC3=O)C2)o1
InChIInChI=1S/C19H27N3O4/c1-14-5-7-16(26-14)12-20-19(25)15-6-8-18(24)22(13-15)11-3-10-21-9-2-4-17(21)23/h5,7,15H,2-4,6,8-13H2,1H3,(H,20,25)/t15-/m0/s1
InChIKeyMTZMMLHVHFVROF-HNNXBMFYSA-N
MW361.44 g/mol
LogP1.46
Rot. Bonds7

About (3S)-N-[(5-methylfuran-2-yl)methyl]-6-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-3-carboxamide

(3S)-N-[(5-methylfuran-2-yl)methyl]-6-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-3-carboxamide (PubChem CID 97113305) has the molecular formula C19H27N3O4 and a molecular weight of 361.44 g/mol. Its IUPAC name is (3S)-N-[(5-methylfuran-2-yl)methyl]-6-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[(5-methylfuran-2-yl)methyl]-6-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-3-carboxamide
PubChem CID97113305
Molecular FormulaC19H27N3O4
Molecular Weight361.44 g/mol
Exact Mass361.20
IUPAC Name(3S)-N-[(5-methylfuran-2-yl)methyl]-6-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-3-carboxamide
SMILESCc1ccc(CNC(=O)[C@H]2CCC(=O)N(CCCN3CCCC3=O)C2)o1
InChIInChI=1S/C19H27N3O4/c1-14-5-7-16(26-14)12-20-19(25)15-6-8-18(24)22(13-15)11-3-10-21-9-2-4-17(21)23/h5,7,15H,2-4,6,8-13H2,1H3,(H,20,25)/t15-/m0/s1
InChIKeyMTZMMLHVHFVROF-HNNXBMFYSA-N
XLogP1.46
TPSA82.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.44
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3S)-N-[(5-methylfuran-2-yl)methyl]-6-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-3-carboxamide 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

(3R)-N-[(2-chlorophenyl)methyl]-6-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-3-carboxamide
CID 25460654
(3R)-N-[(2,5-dimethoxyphenyl)methyl]-6-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-3-carboxamide
CID 42454269
(3R)-N-[(2,4-dimethoxyphenyl)methyl]-6-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-3-carboxamide
CID 42287376
1-methyl-N-[(5-methylfuran-2-yl)methyl]piperidine-4-carboxamide
CID 70985799
(3R)-N-[2-(4-chlorophenyl)ethyl]-6-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-3-carboxamide
CID 95221049
(3S)-N-(1H-imidazol-2-ylmethyl)-6-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-3-carboxamide
CID 97126009
(3S)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-6-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-3-carboxamide
CID 26407076
N-cyclooctyl-6-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-3-carboxamide
CID 45200305
(3S)-N-(2-hydroxy-2-prop-2-enylpent-4-enyl)-6-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-3-carboxamide
CID 42358325
N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-6-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-3-carboxamide
CID 45224796
(3S)-1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N-[(5-methylfuran-2-yl)methyl]piperidine-3-carboxamide
CID 95086085
(3S)-N-[2-(4-ethyl-1,3-thiazol-2-yl)ethyl]-6-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-3-carboxamide
CID 25395779

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[(5-methylfuran-2-yl)methyl]-6-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-3-carboxamide?
The IUPAC name of (3S)-N-[(5-methylfuran-2-yl)methyl]-6-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-3-carboxamide (CID 97113305) is (3S)-N-[(5-methylfuran-2-yl)methyl]-6-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-[(5-methylfuran-2-yl)methyl]-6-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-3-carboxamide?
The canonical SMILES for (3S)-N-[(5-methylfuran-2-yl)methyl]-6-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-3-carboxamide is Cc1ccc(CNC(=O)[C@H]2CCC(=O)N(CCCN3CCCC3=O)C2)o1.
What is the InChIKey of (3S)-N-[(5-methylfuran-2-yl)methyl]-6-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-3-carboxamide?
The InChIKey is MTZMMLHVHFVROF-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H27N3O4/c1-14-5-7-16(26-14)12-20-19(25)15-6-8-18(24)22(13-15)11-3-10-21-9-2-4-17(21)23/h5,7,15H,2-4,6,8-13H2,1H3,(H,20,25)/t15-/m0/s1.
What are the key properties of (3S)-N-[(5-methylfuran-2-yl)methyl]-6-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-3-carboxamide?
(3S)-N-[(5-methylfuran-2-yl)methyl]-6-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-3-carboxamide has a molecular weight of 361.44 g/mol, XLogP of 1.46, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[(5-methylfuran-2-yl)methyl]-6-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-3-carboxamide is sourced from PubChem (CID 97113305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).