[5-[4-(2-methoxyphenyl)piperazin-1-yl]-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone

C23H30N4O2 — CID 109194295

IUPAC[5-[4-(2-methoxyphenyl)piperazin-1-yl]-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone
SMILESCOc1ccccc1N1CCN(c2ccc(C(=O)N3CCCC(C)C3)nc2)CC1
InChIInChI=1S/C23H30N4O2/c1-18-6-5-11-27(17-18)23(28)20-10-9-19(16-24-20)25-12-14-26(15-13-25)21-7-3-4-8-22(21)29-2/h3-4,7-10,16,18H,5-6,11-15,17H2,1-2H3
InChIKeyBLRNRIZJNBPFQO-UHFFFAOYSA-N
MW394.52 g/mol
LogP3.29
Rot. Bonds4

About [5-[4-(2-methoxyphenyl)piperazin-1-yl]-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone

[5-[4-(2-methoxyphenyl)piperazin-1-yl]-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone (PubChem CID 109194295) has the molecular formula C23H30N4O2 and a molecular weight of 394.52 g/mol. Its IUPAC name is [5-[4-(2-methoxyphenyl)piperazin-1-yl]-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[5-[4-(2-methoxyphenyl)piperazin-1-yl]-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone
PubChem CID109194295
Molecular FormulaC23H30N4O2
Molecular Weight394.52 g/mol
Exact Mass394.24
IUPAC Name[5-[4-(2-methoxyphenyl)piperazin-1-yl]-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone
SMILESCOc1ccccc1N1CCN(c2ccc(C(=O)N3CCCC(C)C3)nc2)CC1
InChIInChI=1S/C23H30N4O2/c1-18-6-5-11-27(17-18)23(28)20-10-9-19(16-24-20)25-12-14-26(15-13-25)21-7-3-4-8-22(21)29-2/h3-4,7-10,16,18H,5-6,11-15,17H2,1-2H3
InChIKeyBLRNRIZJNBPFQO-UHFFFAOYSA-N
XLogP3.29
TPSA48.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[5-[4-(2-methoxyphenyl)piperazin-1-yl]-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone
CID 109186297
[4-(2-methoxyphenyl)piperazin-1-yl]-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]methanone
CID 109186471
[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone
CID 109186812
[3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]-pyrazin-2-ylmethanone
CID 45236764
5-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(2-methylpropyl)pyridine-2-carboxamide
CID 109181067
(3-methylpiperidin-1-yl)-[5-[4-(4-methylpiperidin-1-yl)anilino]-2-pyridinyl]methanone
CID 109196383
[5-(2-methoxyanilino)pyrazin-2-yl]-(3-methylpiperidin-1-yl)methanone
CID 109288724
(3-methylpiperidin-1-yl)-[5-(3,4,5-trimethoxyanilino)-2-pyridinyl]methanone
CID 109196398
N-[(2-methoxyphenyl)methyl]-5-(3-methylpiperidin-1-yl)pyridine-2-carboxamide
CID 109190182
4-[5-(3-methylpiperidin-1-yl)pyridine-2-carbonyl]piperazine-1-carbaldehyde
CID 109186964
3,4-dihydro-2H-quinolin-1-yl-[5-(3-methylpiperidin-1-yl)-2-pyridinyl]methanone
CID 109196432
[4-[4-(4-methoxyphenyl)piperazin-1-yl]-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone
CID 109218095

Frequently Asked Questions

What is the IUPAC name of [5-[4-(2-methoxyphenyl)piperazin-1-yl]-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone?
The IUPAC name of [5-[4-(2-methoxyphenyl)piperazin-1-yl]-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone (CID 109194295) is [5-[4-(2-methoxyphenyl)piperazin-1-yl]-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone.
What is the SMILES notation for [5-[4-(2-methoxyphenyl)piperazin-1-yl]-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone?
The canonical SMILES for [5-[4-(2-methoxyphenyl)piperazin-1-yl]-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone is COc1ccccc1N1CCN(c2ccc(C(=O)N3CCCC(C)C3)nc2)CC1.
What is the InChIKey of [5-[4-(2-methoxyphenyl)piperazin-1-yl]-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone?
The InChIKey is BLRNRIZJNBPFQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O2/c1-18-6-5-11-27(17-18)23(28)20-10-9-19(16-24-20)25-12-14-26(15-13-25)21-7-3-4-8-22(21)29-2/h3-4,7-10,16,18H,5-6,11-15,17H2,1-2H3.
What are the key properties of [5-[4-(2-methoxyphenyl)piperazin-1-yl]-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone?
[5-[4-(2-methoxyphenyl)piperazin-1-yl]-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone has a molecular weight of 394.52 g/mol, XLogP of 3.29, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[4-(2-methoxyphenyl)piperazin-1-yl]-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 109194295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).