[(3R)-1-pyrazin-2-ylpiperidin-3-yl]-[(2R)-2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methanone

C18H23N5O — CID 95579135

IUPAC[(3R)-1-pyrazin-2-ylpiperidin-3-yl]-[(2R)-2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methanone
SMILESO=C([C@@H]1CCCN(c2cnccn2)C1)N1CCC[C@@H]1c1ccc[nH]1
InChIInChI=1S/C18H23N5O/c24-18(23-11-3-6-16(23)15-5-1-7-20-15)14-4-2-10-22(13-14)17-12-19-8-9-21-17/h1,5,7-9,12,14,16,20H,2-4,6,10-11,13H2/t14-,16-/m1/s1
InChIKeyZLYDQEXNEWKHJB-GDBMZVCRSA-N
MW325.42 g/mol
LogP2.38
Rot. Bonds3

About [(3R)-1-pyrazin-2-ylpiperidin-3-yl]-[(2R)-2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methanone

[(3R)-1-pyrazin-2-ylpiperidin-3-yl]-[(2R)-2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methanone (PubChem CID 95579135) has the molecular formula C18H23N5O and a molecular weight of 325.42 g/mol. Its IUPAC name is [(3R)-1-pyrazin-2-ylpiperidin-3-yl]-[(2R)-2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[(3R)-1-pyrazin-2-ylpiperidin-3-yl]-[(2R)-2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methanone
PubChem CID95579135
Molecular FormulaC18H23N5O
Molecular Weight325.42 g/mol
Exact Mass325.19
IUPAC Name[(3R)-1-pyrazin-2-ylpiperidin-3-yl]-[(2R)-2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methanone
SMILESO=C([C@@H]1CCCN(c2cnccn2)C1)N1CCC[C@@H]1c1ccc[nH]1
InChIInChI=1S/C18H23N5O/c24-18(23-11-3-6-16(23)15-5-1-7-20-15)14-4-2-10-22(13-14)17-12-19-8-9-21-17/h1,5,7-9,12,14,16,20H,2-4,6,10-11,13H2/t14-,16-/m1/s1
InChIKeyZLYDQEXNEWKHJB-GDBMZVCRSA-N
XLogP2.38
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.42
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [(3R)-1-pyrazin-2-ylpiperidin-3-yl]-[(2R)-2-(1H-pyrrol-2-yl)pyrrolidin-1-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

(1-pyrazin-2-ylpiperidin-3-yl)-(2-pyridin-2-ylpyrrolidin-1-yl)methanone
CID 56819028
[(3R)-1-pyrazin-2-ylpiperidin-3-yl]-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]methanone
CID 37023275
[(2R)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]-[(3S)-1-pyrazin-2-ylpiperidin-3-yl]methanone
CID 129427634
[(3R)-1-pyrazin-2-ylpiperidin-3-yl]-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 95603700
(1-pyrazin-2-ylpiperidin-3-yl)-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 56779237
[(3R)-1-pyridin-2-ylpiperidin-3-yl]-[(2R)-2-pyridin-4-ylpyrrolidin-1-yl]methanone
CID 95583532
tert-butyl (3S)-3-[(2S)-2-(1H-pyrrol-2-yl)pyrrolidine-1-carbonyl]piperidine-1-carboxylate
CID 96556479
6-[4-[(2S)-2-(1H-pyrrol-2-yl)pyrrolidine-1-carbonyl]piperidin-1-yl]pyridine-3-carbonitrile
CID 95579184
(3-fluoro-4-pyridinyl)-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methanone
CID 113240934
[(2R,6R)-2,6-dimethylmorpholin-4-yl]-[(3R)-1-pyrazin-2-ylpiperidin-3-yl]methanone
CID 36990549
N-propan-2-yl-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 42950778
(3S)-N-tert-butyl-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 94045960

Frequently Asked Questions

What is the IUPAC name of [(3R)-1-pyrazin-2-ylpiperidin-3-yl]-[(2R)-2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methanone?
The IUPAC name of [(3R)-1-pyrazin-2-ylpiperidin-3-yl]-[(2R)-2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methanone (CID 95579135) is [(3R)-1-pyrazin-2-ylpiperidin-3-yl]-[(2R)-2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for [(3R)-1-pyrazin-2-ylpiperidin-3-yl]-[(2R)-2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methanone?
The canonical SMILES for [(3R)-1-pyrazin-2-ylpiperidin-3-yl]-[(2R)-2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methanone is O=C([C@@H]1CCCN(c2cnccn2)C1)N1CCC[C@@H]1c1ccc[nH]1.
What is the InChIKey of [(3R)-1-pyrazin-2-ylpiperidin-3-yl]-[(2R)-2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methanone?
The InChIKey is ZLYDQEXNEWKHJB-GDBMZVCRSA-N. The full InChI is InChI=1S/C18H23N5O/c24-18(23-11-3-6-16(23)15-5-1-7-20-15)14-4-2-10-22(13-14)17-12-19-8-9-21-17/h1,5,7-9,12,14,16,20H,2-4,6,10-11,13H2/t14-,16-/m1/s1.
What are the key properties of [(3R)-1-pyrazin-2-ylpiperidin-3-yl]-[(2R)-2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methanone?
[(3R)-1-pyrazin-2-ylpiperidin-3-yl]-[(2R)-2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methanone has a molecular weight of 325.42 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-1-pyrazin-2-ylpiperidin-3-yl]-[(2R)-2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 95579135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).