(4-methylpiperazin-1-yl)-[4-(4-piperidin-1-ylanilino)-2-pyridinyl]methanone

C22H29N5O — CID 109208189

IUPAC(4-methylpiperazin-1-yl)-[4-(4-piperidin-1-ylanilino)-2-pyridinyl]methanone
SMILESCN1CCN(C(=O)c2cc(Nc3ccc(N4CCCCC4)cc3)ccn2)CC1
InChIInChI=1S/C22H29N5O/c1-25-13-15-27(16-14-25)22(28)21-17-19(9-10-23-21)24-18-5-7-20(8-6-18)26-11-3-2-4-12-26/h5-10,17H,2-4,11-16H2,1H3,(H,23,24)
InChIKeyQWYPBFZPIJUHOT-UHFFFAOYSA-N
MW379.51 g/mol
LogP3.20
Rot. Bonds4

About (4-methylpiperazin-1-yl)-[4-(4-piperidin-1-ylanilino)-2-pyridinyl]methanone

(4-methylpiperazin-1-yl)-[4-(4-piperidin-1-ylanilino)-2-pyridinyl]methanone (PubChem CID 109208189) has the molecular formula C22H29N5O and a molecular weight of 379.51 g/mol. Its IUPAC name is (4-methylpiperazin-1-yl)-[4-(4-piperidin-1-ylanilino)-2-pyridinyl]methanone.

Molecular Properties

Compound Name(4-methylpiperazin-1-yl)-[4-(4-piperidin-1-ylanilino)-2-pyridinyl]methanone
PubChem CID109208189
Molecular FormulaC22H29N5O
Molecular Weight379.51 g/mol
Exact Mass379.24
IUPAC Name(4-methylpiperazin-1-yl)-[4-(4-piperidin-1-ylanilino)-2-pyridinyl]methanone
SMILESCN1CCN(C(=O)c2cc(Nc3ccc(N4CCCCC4)cc3)ccn2)CC1
InChIInChI=1S/C22H29N5O/c1-25-13-15-27(16-14-25)22(28)21-17-19(9-10-23-21)24-18-5-7-20(8-6-18)26-11-3-2-4-12-26/h5-10,17H,2-4,11-16H2,1H3,(H,23,24)
InChIKeyQWYPBFZPIJUHOT-UHFFFAOYSA-N
XLogP3.20
TPSA51.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.51
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

azepan-1-yl-[4-(4-pyrrolidin-1-ylanilino)-2-pyridinyl]methanone
CID 109218598
azepan-1-yl-[4-[4-(4-methylpiperidin-1-yl)anilino]-2-pyridinyl]methanone
CID 109218600
[4-[4-(4-methylpiperidin-1-yl)anilino]-2-pyridinyl]-piperidin-1-ylmethanone
CID 109204507
4-(4-pyrrolidin-1-ylanilino)pyridine-2-carboxylic acid
CID 63180412
[4-(3,5-dimethylanilino)-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone
CID 109208134
azepan-1-yl-[2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]methanone
CID 109313354
[2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]-piperidin-1-ylmethanone
CID 109298550
N-propan-2-yl-4-(4-pyrrolidin-1-ylanilino)pyridine-2-carboxamide
CID 109201439
methyl 4-[[2-(azepane-1-carbonyl)-4-pyridinyl]amino]benzoate
CID 109218594
azepan-1-yl-[4-(4-ethylanilino)-2-pyridinyl]methanone
CID 109218552
(4-methylpiperazin-1-yl)-[2-(4-piperidin-1-ylanilino)pyrimidin-5-yl]methanone
CID 109253781
[4-(3-bromoanilino)-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone
CID 109208197

Frequently Asked Questions

What is the IUPAC name of (4-methylpiperazin-1-yl)-[4-(4-piperidin-1-ylanilino)-2-pyridinyl]methanone?
The IUPAC name of (4-methylpiperazin-1-yl)-[4-(4-piperidin-1-ylanilino)-2-pyridinyl]methanone (CID 109208189) is (4-methylpiperazin-1-yl)-[4-(4-piperidin-1-ylanilino)-2-pyridinyl]methanone.
What is the SMILES notation for (4-methylpiperazin-1-yl)-[4-(4-piperidin-1-ylanilino)-2-pyridinyl]methanone?
The canonical SMILES for (4-methylpiperazin-1-yl)-[4-(4-piperidin-1-ylanilino)-2-pyridinyl]methanone is CN1CCN(C(=O)c2cc(Nc3ccc(N4CCCCC4)cc3)ccn2)CC1.
What is the InChIKey of (4-methylpiperazin-1-yl)-[4-(4-piperidin-1-ylanilino)-2-pyridinyl]methanone?
The InChIKey is QWYPBFZPIJUHOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N5O/c1-25-13-15-27(16-14-25)22(28)21-17-19(9-10-23-21)24-18-5-7-20(8-6-18)26-11-3-2-4-12-26/h5-10,17H,2-4,11-16H2,1H3,(H,23,24).
What are the key properties of (4-methylpiperazin-1-yl)-[4-(4-piperidin-1-ylanilino)-2-pyridinyl]methanone?
(4-methylpiperazin-1-yl)-[4-(4-piperidin-1-ylanilino)-2-pyridinyl]methanone has a molecular weight of 379.51 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylpiperazin-1-yl)-[4-(4-piperidin-1-ylanilino)-2-pyridinyl]methanone is sourced from PubChem (CID 109208189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).