[(2S)-2-(3-methoxyphenyl)pyrrolidin-1-yl]-(4-methylpiperazin-1-yl)methanone

C17H25N3O2 — CID 95715803

IUPAC[(2S)-2-(3-methoxyphenyl)pyrrolidin-1-yl]-(4-methylpiperazin-1-yl)methanone
SMILESCOc1cccc([C@@H]2CCCN2C(=O)N2CCN(C)CC2)c1
InChIInChI=1S/C17H25N3O2/c1-18-9-11-19(12-10-18)17(21)20-8-4-7-16(20)14-5-3-6-15(13-14)22-2/h3,5-6,13,16H,4,7-12H2,1-2H3/t16-/m0/s1
InChIKeyQGCUIFSVUQMQFH-INIZCTEOSA-N
MW303.41 g/mol
LogP2.20
Rot. Bonds2

About [(2S)-2-(3-methoxyphenyl)pyrrolidin-1-yl]-(4-methylpiperazin-1-yl)methanone

[(2S)-2-(3-methoxyphenyl)pyrrolidin-1-yl]-(4-methylpiperazin-1-yl)methanone (PubChem CID 95715803) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is [(2S)-2-(3-methoxyphenyl)pyrrolidin-1-yl]-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[(2S)-2-(3-methoxyphenyl)pyrrolidin-1-yl]-(4-methylpiperazin-1-yl)methanone
PubChem CID95715803
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC Name[(2S)-2-(3-methoxyphenyl)pyrrolidin-1-yl]-(4-methylpiperazin-1-yl)methanone
SMILESCOc1cccc([C@@H]2CCCN2C(=O)N2CCN(C)CC2)c1
InChIInChI=1S/C17H25N3O2/c1-18-9-11-19(12-10-18)17(21)20-8-4-7-16(20)14-5-3-6-15(13-14)22-2/h3,5-6,13,16H,4,7-12H2,1-2H3/t16-/m0/s1
InChIKeyQGCUIFSVUQMQFH-INIZCTEOSA-N
XLogP2.20
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

bis[2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 174863821
[2-(3-methoxyphenyl)piperidin-1-yl]-morpholin-4-ylmethanone
CID 56898380
[2-(3-methoxyphenyl)pyrrolidin-1-yl]-[(2R)-piperidin-2-yl]methanone
CID 104913273
cyclopropyl-[4-[2-(3-methoxyphenyl)pyrrolidine-1-carbonyl]piperidin-1-yl]methanone
CID 55526600
tert-butyl 2-(3-methoxyphenyl)pyrrolidine-1-carboxylate
CID 15189984
2-chloro-1-[(2S)-2-(3-methoxyphenyl)pyrrolidin-1-yl]ethanone
CID 51889844
2,3-dihydro-1-benzothiophen-2-yl-[2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 51318598
[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]-(oxan-4-yl)methanone
CID 52556394
(2-methoxyphenyl)-[2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 78834014
methyl 4-[2-(3-methoxyphenyl)pyrrolidine-1-carbonyl]benzoate
CID 51318465
[2-(3-methoxyphenyl)pyrrolidin-1-yl]-pyridin-4-ylmethanone
CID 42934876
(3-aminothiophen-2-yl)-[2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 61111484

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-(3-methoxyphenyl)pyrrolidin-1-yl]-(4-methylpiperazin-1-yl)methanone?
The IUPAC name of [(2S)-2-(3-methoxyphenyl)pyrrolidin-1-yl]-(4-methylpiperazin-1-yl)methanone (CID 95715803) is [(2S)-2-(3-methoxyphenyl)pyrrolidin-1-yl]-(4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for [(2S)-2-(3-methoxyphenyl)pyrrolidin-1-yl]-(4-methylpiperazin-1-yl)methanone?
The canonical SMILES for [(2S)-2-(3-methoxyphenyl)pyrrolidin-1-yl]-(4-methylpiperazin-1-yl)methanone is COc1cccc([C@@H]2CCCN2C(=O)N2CCN(C)CC2)c1.
What is the InChIKey of [(2S)-2-(3-methoxyphenyl)pyrrolidin-1-yl]-(4-methylpiperazin-1-yl)methanone?
The InChIKey is QGCUIFSVUQMQFH-INIZCTEOSA-N. The full InChI is InChI=1S/C17H25N3O2/c1-18-9-11-19(12-10-18)17(21)20-8-4-7-16(20)14-5-3-6-15(13-14)22-2/h3,5-6,13,16H,4,7-12H2,1-2H3/t16-/m0/s1.
What are the key properties of [(2S)-2-(3-methoxyphenyl)pyrrolidin-1-yl]-(4-methylpiperazin-1-yl)methanone?
[(2S)-2-(3-methoxyphenyl)pyrrolidin-1-yl]-(4-methylpiperazin-1-yl)methanone has a molecular weight of 303.41 g/mol, XLogP of 2.20, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-(3-methoxyphenyl)pyrrolidin-1-yl]-(4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 95715803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).