[4-(4-methoxyphenyl)piperazin-1-yl]-[1-[2-(2-methylphenyl)pyridine-3-carbonyl]piperidin-4-yl]methanone

C30H34N4O3 — CID 50832568

IUPAC[4-(4-methoxyphenyl)piperazin-1-yl]-[1-[2-(2-methylphenyl)pyridine-3-carbonyl]piperidin-4-yl]methanone
SMILESCOc1ccc(N2CCN(C(=O)C3CCN(C(=O)c4cccnc4-c4ccccc4C)CC3)CC2)cc1
InChIInChI=1S/C30H34N4O3/c1-22-6-3-4-7-26(22)28-27(8-5-15-31-28)30(36)33-16-13-23(14-17-33)29(35)34-20-18-32(19-21-34)24-9-11-25(37-2)12-10-24/h3-12,15,23H,13-14,16-21H2,1-2H3
InChIKeyPYAYVIISNXRDGD-UHFFFAOYSA-N
MW498.63 g/mol
LogP4.27
Rot. Bonds5

About [4-(4-methoxyphenyl)piperazin-1-yl]-[1-[2-(2-methylphenyl)pyridine-3-carbonyl]piperidin-4-yl]methanone

[4-(4-methoxyphenyl)piperazin-1-yl]-[1-[2-(2-methylphenyl)pyridine-3-carbonyl]piperidin-4-yl]methanone (PubChem CID 50832568) has the molecular formula C30H34N4O3 and a molecular weight of 498.63 g/mol. Its IUPAC name is [4-(4-methoxyphenyl)piperazin-1-yl]-[1-[2-(2-methylphenyl)pyridine-3-carbonyl]piperidin-4-yl]methanone.

Molecular Properties

Compound Name[4-(4-methoxyphenyl)piperazin-1-yl]-[1-[2-(2-methylphenyl)pyridine-3-carbonyl]piperidin-4-yl]methanone
PubChem CID50832568
Molecular FormulaC30H34N4O3
Molecular Weight498.63 g/mol
Exact Mass498.26
IUPAC Name[4-(4-methoxyphenyl)piperazin-1-yl]-[1-[2-(2-methylphenyl)pyridine-3-carbonyl]piperidin-4-yl]methanone
SMILESCOc1ccc(N2CCN(C(=O)C3CCN(C(=O)c4cccnc4-c4ccccc4C)CC3)CC2)cc1
InChIInChI=1S/C30H34N4O3/c1-22-6-3-4-7-26(22)28-27(8-5-15-31-28)30(36)33-16-13-23(14-17-33)29(35)34-20-18-32(19-21-34)24-9-11-25(37-2)12-10-24/h3-12,15,23H,13-14,16-21H2,1-2H3
InChIKeyPYAYVIISNXRDGD-UHFFFAOYSA-N
XLogP4.27
TPSA65.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.63
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

azepan-1-yl-[1-[2-(2-methylphenyl)pyridine-3-carbonyl]piperidin-4-yl]methanone
CID 46390269
(2-chloro-3-pyridinyl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 9159021
[4-(4-methoxyphenyl)piperazin-1-yl]-(2-morpholin-4-yl-3-pyridinyl)methanone
CID 51210361
N-cycloheptyl-1-[2-(2-methylphenyl)pyridine-3-carbonyl]piperidine-4-carboxamide
CID 46390267
[4-(4-methoxyphenyl)piperazin-1-yl]-(2-methylsulfanyl-3-pyridinyl)methanone
CID 2091587
[4-(4-methoxyphenyl)piperazin-1-yl]-(2-phenylphenyl)methanone
CID 2948850
[1-(5-chloro-2-methoxybenzoyl)piperidin-4-yl]-[4-(4-methoxyphenyl)-1,4-diazepan-1-yl]methanone
CID 55918037
(2-methoxyphenyl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 937879
[1-(2-methylbenzoyl)piperidin-4-yl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone
CID 18133999
[4-(4-methoxyphenyl)piperazin-1-yl]-(1-pyrimidin-2-ylpiperidin-3-yl)methanone
CID 3223330
4-methoxy-N-[4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]benzamide
CID 1056093
[1-(4-fluorobenzoyl)piperidin-4-yl]-[4-(4-methoxyphenyl)-1,4-diazepan-1-yl]methanone
CID 55918263

Frequently Asked Questions

What is the IUPAC name of [4-(4-methoxyphenyl)piperazin-1-yl]-[1-[2-(2-methylphenyl)pyridine-3-carbonyl]piperidin-4-yl]methanone?
The IUPAC name of [4-(4-methoxyphenyl)piperazin-1-yl]-[1-[2-(2-methylphenyl)pyridine-3-carbonyl]piperidin-4-yl]methanone (CID 50832568) is [4-(4-methoxyphenyl)piperazin-1-yl]-[1-[2-(2-methylphenyl)pyridine-3-carbonyl]piperidin-4-yl]methanone.
What is the SMILES notation for [4-(4-methoxyphenyl)piperazin-1-yl]-[1-[2-(2-methylphenyl)pyridine-3-carbonyl]piperidin-4-yl]methanone?
The canonical SMILES for [4-(4-methoxyphenyl)piperazin-1-yl]-[1-[2-(2-methylphenyl)pyridine-3-carbonyl]piperidin-4-yl]methanone is COc1ccc(N2CCN(C(=O)C3CCN(C(=O)c4cccnc4-c4ccccc4C)CC3)CC2)cc1.
What is the InChIKey of [4-(4-methoxyphenyl)piperazin-1-yl]-[1-[2-(2-methylphenyl)pyridine-3-carbonyl]piperidin-4-yl]methanone?
The InChIKey is PYAYVIISNXRDGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34N4O3/c1-22-6-3-4-7-26(22)28-27(8-5-15-31-28)30(36)33-16-13-23(14-17-33)29(35)34-20-18-32(19-21-34)24-9-11-25(37-2)12-10-24/h3-12,15,23H,13-14,16-21H2,1-2H3.
What are the key properties of [4-(4-methoxyphenyl)piperazin-1-yl]-[1-[2-(2-methylphenyl)pyridine-3-carbonyl]piperidin-4-yl]methanone?
[4-(4-methoxyphenyl)piperazin-1-yl]-[1-[2-(2-methylphenyl)pyridine-3-carbonyl]piperidin-4-yl]methanone has a molecular weight of 498.63 g/mol, XLogP of 4.27, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-methoxyphenyl)piperazin-1-yl]-[1-[2-(2-methylphenyl)pyridine-3-carbonyl]piperidin-4-yl]methanone is sourced from PubChem (CID 50832568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).