(2-methoxyphenyl)-[4-[2-methyl-6-[(2S)-pyrrolidin-2-yl]-4-pyridinyl]piperazin-1-yl]methanone

C22H28N4O2 — CID 92619877

IUPAC(2-methoxyphenyl)-[4-[2-methyl-6-[(2S)-pyrrolidin-2-yl]-4-pyridinyl]piperazin-1-yl]methanone
SMILESCOc1ccccc1C(=O)N1CCN(c2cc(C)nc([C@@H]3CCCN3)c2)CC1
InChIInChI=1S/C22H28N4O2/c1-16-14-17(15-20(24-16)19-7-5-9-23-19)25-10-12-26(13-11-25)22(27)18-6-3-4-8-21(18)28-2/h3-4,6,8,14-15,19,23H,5,7,9-13H2,1-2H3/t19-/m0/s1
InChIKeyKCXRHBBBKIXRSE-IBGZPJMESA-N
MW380.49 g/mol
LogP2.79
Rot. Bonds4

About (2-methoxyphenyl)-[4-[2-methyl-6-[(2S)-pyrrolidin-2-yl]-4-pyridinyl]piperazin-1-yl]methanone

(2-methoxyphenyl)-[4-[2-methyl-6-[(2S)-pyrrolidin-2-yl]-4-pyridinyl]piperazin-1-yl]methanone (PubChem CID 92619877) has the molecular formula C22H28N4O2 and a molecular weight of 380.49 g/mol. Its IUPAC name is (2-methoxyphenyl)-[4-[2-methyl-6-[(2S)-pyrrolidin-2-yl]-4-pyridinyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2-methoxyphenyl)-[4-[2-methyl-6-[(2S)-pyrrolidin-2-yl]-4-pyridinyl]piperazin-1-yl]methanone
PubChem CID92619877
Molecular FormulaC22H28N4O2
Molecular Weight380.49 g/mol
Exact Mass380.22
IUPAC Name(2-methoxyphenyl)-[4-[2-methyl-6-[(2S)-pyrrolidin-2-yl]-4-pyridinyl]piperazin-1-yl]methanone
SMILESCOc1ccccc1C(=O)N1CCN(c2cc(C)nc([C@@H]3CCCN3)c2)CC1
InChIInChI=1S/C22H28N4O2/c1-16-14-17(15-20(24-16)19-7-5-9-23-19)25-10-12-26(13-11-25)22(27)18-6-3-4-8-21(18)28-2/h3-4,6,8,14-15,19,23H,5,7,9-13H2,1-2H3/t19-/m0/s1
InChIKeyKCXRHBBBKIXRSE-IBGZPJMESA-N
XLogP2.79
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(3,4-dimethylphenyl)piperazin-1-yl]-(2-methoxyphenyl)methanone
CID 113075511
[4-(3,4-dichlorophenyl)piperazin-1-yl]-(2-methoxyphenyl)methanone
CID 113080152
1-(2-methyl-6-pyrrolidin-2-yl-4-pyridinyl)-4-pyrrolidin-1-ylsulfonylpiperazine
CID 110260458
(2-methoxyphenyl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 937879
[4-(3-chloro-4-methylphenyl)piperazin-1-yl]-(2-methoxyphenyl)methanone
CID 113076848
1-(2-methylpropyl)-4-[2-methyl-6-[(2S)-pyrrolidin-2-yl]-4-pyridinyl]piperazine
CID 92619861
(2-methoxyphenyl)-[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 108755273
[4-(2-methoxy-5-methylbenzoyl)piperazin-1-yl]-(2-methoxyphenyl)methanone
CID 110814937
(4-cyclopentylpiperazin-1-yl)-(2-methoxyphenyl)methanone
CID 796432
(2-methoxyphenyl)-(4-methylpiperidin-1-yl)methanone
CID 5149560
[4-(3,5-dimethyl-1-phenylpyrazol-4-yl)piperazin-1-yl]-(2-methoxyphenyl)methanone
CID 90506631
6-[[4-[2-methyl-6-[(2R)-pyrrolidin-2-yl]-4-pyridinyl]piperazin-1-yl]methyl]quinoline
CID 92619694

Frequently Asked Questions

What is the IUPAC name of (2-methoxyphenyl)-[4-[2-methyl-6-[(2S)-pyrrolidin-2-yl]-4-pyridinyl]piperazin-1-yl]methanone?
The IUPAC name of (2-methoxyphenyl)-[4-[2-methyl-6-[(2S)-pyrrolidin-2-yl]-4-pyridinyl]piperazin-1-yl]methanone (CID 92619877) is (2-methoxyphenyl)-[4-[2-methyl-6-[(2S)-pyrrolidin-2-yl]-4-pyridinyl]piperazin-1-yl]methanone.
What is the SMILES notation for (2-methoxyphenyl)-[4-[2-methyl-6-[(2S)-pyrrolidin-2-yl]-4-pyridinyl]piperazin-1-yl]methanone?
The canonical SMILES for (2-methoxyphenyl)-[4-[2-methyl-6-[(2S)-pyrrolidin-2-yl]-4-pyridinyl]piperazin-1-yl]methanone is COc1ccccc1C(=O)N1CCN(c2cc(C)nc([C@@H]3CCCN3)c2)CC1.
What is the InChIKey of (2-methoxyphenyl)-[4-[2-methyl-6-[(2S)-pyrrolidin-2-yl]-4-pyridinyl]piperazin-1-yl]methanone?
The InChIKey is KCXRHBBBKIXRSE-IBGZPJMESA-N. The full InChI is InChI=1S/C22H28N4O2/c1-16-14-17(15-20(24-16)19-7-5-9-23-19)25-10-12-26(13-11-25)22(27)18-6-3-4-8-21(18)28-2/h3-4,6,8,14-15,19,23H,5,7,9-13H2,1-2H3/t19-/m0/s1.
What are the key properties of (2-methoxyphenyl)-[4-[2-methyl-6-[(2S)-pyrrolidin-2-yl]-4-pyridinyl]piperazin-1-yl]methanone?
(2-methoxyphenyl)-[4-[2-methyl-6-[(2S)-pyrrolidin-2-yl]-4-pyridinyl]piperazin-1-yl]methanone has a molecular weight of 380.49 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxyphenyl)-[4-[2-methyl-6-[(2S)-pyrrolidin-2-yl]-4-pyridinyl]piperazin-1-yl]methanone is sourced from PubChem (CID 92619877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).