[5-(4-methoxyphenyl)-3-pyridinyl]-[(3R)-3-methylpiperazin-1-yl]methanone

C18H21N3O2 — CID 124620498

IUPAC[5-(4-methoxyphenyl)-3-pyridinyl]-[(3R)-3-methylpiperazin-1-yl]methanone
SMILESCOc1ccc(-c2cncc(C(=O)N3CCN[C@H](C)C3)c2)cc1
InChIInChI=1S/C18H21N3O2/c1-13-12-21(8-7-20-13)18(22)16-9-15(10-19-11-16)14-3-5-17(23-2)6-4-14/h3-6,9-11,13,20H,7-8,12H2,1-2H3/t13-/m1/s1
InChIKeyPQKUVRQZJBULTL-CYBMUJFWSA-N
MW311.39 g/mol
LogP2.19
Rot. Bonds3

About [5-(4-methoxyphenyl)-3-pyridinyl]-[(3R)-3-methylpiperazin-1-yl]methanone

[5-(4-methoxyphenyl)-3-pyridinyl]-[(3R)-3-methylpiperazin-1-yl]methanone (PubChem CID 124620498) has the molecular formula C18H21N3O2 and a molecular weight of 311.39 g/mol. Its IUPAC name is [5-(4-methoxyphenyl)-3-pyridinyl]-[(3R)-3-methylpiperazin-1-yl]methanone.

Molecular Properties

Compound Name[5-(4-methoxyphenyl)-3-pyridinyl]-[(3R)-3-methylpiperazin-1-yl]methanone
PubChem CID124620498
Molecular FormulaC18H21N3O2
Molecular Weight311.39 g/mol
Exact Mass311.16
IUPAC Name[5-(4-methoxyphenyl)-3-pyridinyl]-[(3R)-3-methylpiperazin-1-yl]methanone
SMILESCOc1ccc(-c2cncc(C(=O)N3CCN[C@H](C)C3)c2)cc1
InChIInChI=1S/C18H21N3O2/c1-13-12-21(8-7-20-13)18(22)16-9-15(10-19-11-16)14-3-5-17(23-2)6-4-14/h3-6,9-11,13,20H,7-8,12H2,1-2H3/t13-/m1/s1
InChIKeyPQKUVRQZJBULTL-CYBMUJFWSA-N
XLogP2.19
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-methoxyphenyl)-[(3R)-3-methylpiperazin-1-yl]methanone
CID 81427852
3,9-diazabicyclo[4.2.1]nonan-3-yl-[5-(4-methoxyphenyl)-3-pyridinyl]methanone;dihydrochloride
CID 119636013
(3S)-1-[5-(4-methoxyphenyl)pyridine-3-carbonyl]piperidine-3-carboxylic acid
CID 120514160
(4-methoxy-4-methylpiperidin-1-yl)-[5-(4-methoxyphenyl)-3-pyridinyl]methanone
CID 146125670
[2-(4-methoxyphenyl)-1,3-thiazol-5-yl]-(3-methylpiperazin-1-yl)methanone;hydrochloride
CID 119579116
[4-(cyclopropylmethylamino)piperidin-1-yl]-[5-(4-methoxyphenyl)-3-pyridinyl]methanone;dihydrochloride
CID 119622551
[5-(4-methoxyphenyl)-3-pyridinyl]-[2-(1,3-thiazol-2-yl)morpholin-4-yl]methanone
CID 126788795
(3,4-dimethoxyphenyl)-[(3S)-3-methylpiperazin-1-yl]methanone
CID 81428147
(2-iodo-4-methoxyphenyl)-(3-methylpiperazin-1-yl)methanone
CID 119576725
5-(4-methoxyphenyl)-N-piperidin-4-ylpyridine-3-carboxamide
CID 71730777
3,9-diazabicyclo[4.2.1]nonan-3-yl-[5-(4-methylphenyl)-3-pyridinyl]methanone
CID 119637803
(4-methylpiperidin-1-yl)-[5-(4-phenoxyphenyl)-3-pyridinyl]methanone
CID 46032979

Frequently Asked Questions

What is the IUPAC name of [5-(4-methoxyphenyl)-3-pyridinyl]-[(3R)-3-methylpiperazin-1-yl]methanone?
The IUPAC name of [5-(4-methoxyphenyl)-3-pyridinyl]-[(3R)-3-methylpiperazin-1-yl]methanone (CID 124620498) is [5-(4-methoxyphenyl)-3-pyridinyl]-[(3R)-3-methylpiperazin-1-yl]methanone.
What is the SMILES notation for [5-(4-methoxyphenyl)-3-pyridinyl]-[(3R)-3-methylpiperazin-1-yl]methanone?
The canonical SMILES for [5-(4-methoxyphenyl)-3-pyridinyl]-[(3R)-3-methylpiperazin-1-yl]methanone is COc1ccc(-c2cncc(C(=O)N3CCN[C@H](C)C3)c2)cc1.
What is the InChIKey of [5-(4-methoxyphenyl)-3-pyridinyl]-[(3R)-3-methylpiperazin-1-yl]methanone?
The InChIKey is PQKUVRQZJBULTL-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-13-12-21(8-7-20-13)18(22)16-9-15(10-19-11-16)14-3-5-17(23-2)6-4-14/h3-6,9-11,13,20H,7-8,12H2,1-2H3/t13-/m1/s1.
What are the key properties of [5-(4-methoxyphenyl)-3-pyridinyl]-[(3R)-3-methylpiperazin-1-yl]methanone?
[5-(4-methoxyphenyl)-3-pyridinyl]-[(3R)-3-methylpiperazin-1-yl]methanone has a molecular weight of 311.39 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-methoxyphenyl)-3-pyridinyl]-[(3R)-3-methylpiperazin-1-yl]methanone is sourced from PubChem (CID 124620498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).