[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]-[4-(1-methylpyrazol-4-yl)piperazin-1-yl]methanone

C15H25N5O2 — CID 128985019

IUPAC[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]-[4-(1-methylpyrazol-4-yl)piperazin-1-yl]methanone
SMILESCO[C@H]1C[C@@H](C(=O)N2CCN(c3cnn(C)c3)CC2)N(C)C1
InChIInChI=1S/C15H25N5O2/c1-17-11-13(22-3)8-14(17)15(21)20-6-4-19(5-7-20)12-9-16-18(2)10-12/h9-10,13-14H,4-8,11H2,1-3H3/t13-,14-/m0/s1
InChIKeyXLXOIFXXALTIRI-KBPBESRZSA-N
MW307.40 g/mol
LogP-0.21
Rot. Bonds3

About [(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]-[4-(1-methylpyrazol-4-yl)piperazin-1-yl]methanone

[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]-[4-(1-methylpyrazol-4-yl)piperazin-1-yl]methanone (PubChem CID 128985019) has the molecular formula C15H25N5O2 and a molecular weight of 307.40 g/mol. Its IUPAC name is [(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]-[4-(1-methylpyrazol-4-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]-[4-(1-methylpyrazol-4-yl)piperazin-1-yl]methanone
PubChem CID128985019
Molecular FormulaC15H25N5O2
Molecular Weight307.40 g/mol
Exact Mass307.20
IUPAC Name[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]-[4-(1-methylpyrazol-4-yl)piperazin-1-yl]methanone
SMILESCO[C@H]1C[C@@H](C(=O)N2CCN(c3cnn(C)c3)CC2)N(C)C1
InChIInChI=1S/C15H25N5O2/c1-17-11-13(22-3)8-14(17)15(21)20-6-4-19(5-7-20)12-9-16-18(2)10-12/h9-10,13-14H,4-8,11H2,1-3H3/t13-,14-/m0/s1
InChIKeyXLXOIFXXALTIRI-KBPBESRZSA-N
XLogP-0.21
TPSA53.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 5-0.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]-[4-(1-methylpyrazol-4-yl)piperazin-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

[4-[2-(dimethylamino)pyrimidin-4-yl]piperazin-1-yl]-[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]methanone
CID 128984589
[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]-[4-(1,2-oxazol-3-ylmethyl)piperazin-1-yl]methanone
CID 128984637
[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]-(4-pyrazin-2-yloxypiperidin-1-yl)methanone
CID 128987459
(2R,4R)-4-methoxy-1-methylpyrrolidine-2-carboxylic acid;hydrochloride
CID 66986168
2-(2-methoxyethylamino)-1-[4-(1-methylpyrazol-4-yl)piperazin-1-yl]ethanone
CID 119887348
[(1S,3S)-3-aminocyclohexyl]-[4-(1-methylpyrazol-4-yl)piperazin-1-yl]methanone
CID 124696422
[4-(1-methylpyrazol-4-yl)piperazin-1-yl]-[(1R,2S)-2-(oxan-4-yl)cyclopropyl]methanone
CID 136584830
[(2R,3R)-2-methyloxan-3-yl]-[4-(1-methylpyrazol-4-yl)piperazin-1-yl]methanone
CID 129399632
[4-(1-methylpyrazol-4-yl)piperazin-1-yl]-piperidin-3-ylmethanone;dihydrochloride
CID 119887289
7-amino-1-[4-(1-methylpyrazol-4-yl)piperazin-1-yl]heptan-1-one
CID 119887294
(2S,4S)-4-methoxy-N-[1-(2-methoxyethyl)pyrazol-4-yl]-1-methylpyrrolidine-2-carboxamide
CID 128979339
1-[4-(1-methylpyrazol-4-yl)piperazin-1-yl]-2-propan-2-ylpentan-1-one
CID 126767368

Frequently Asked Questions

What is the IUPAC name of [(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]-[4-(1-methylpyrazol-4-yl)piperazin-1-yl]methanone?
The IUPAC name of [(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]-[4-(1-methylpyrazol-4-yl)piperazin-1-yl]methanone (CID 128985019) is [(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]-[4-(1-methylpyrazol-4-yl)piperazin-1-yl]methanone.
What is the SMILES notation for [(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]-[4-(1-methylpyrazol-4-yl)piperazin-1-yl]methanone?
The canonical SMILES for [(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]-[4-(1-methylpyrazol-4-yl)piperazin-1-yl]methanone is CO[C@H]1C[C@@H](C(=O)N2CCN(c3cnn(C)c3)CC2)N(C)C1.
What is the InChIKey of [(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]-[4-(1-methylpyrazol-4-yl)piperazin-1-yl]methanone?
The InChIKey is XLXOIFXXALTIRI-KBPBESRZSA-N. The full InChI is InChI=1S/C15H25N5O2/c1-17-11-13(22-3)8-14(17)15(21)20-6-4-19(5-7-20)12-9-16-18(2)10-12/h9-10,13-14H,4-8,11H2,1-3H3/t13-,14-/m0/s1.
What are the key properties of [(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]-[4-(1-methylpyrazol-4-yl)piperazin-1-yl]methanone?
[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]-[4-(1-methylpyrazol-4-yl)piperazin-1-yl]methanone has a molecular weight of 307.40 g/mol, XLogP of -0.21, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]-[4-(1-methylpyrazol-4-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 128985019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).