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

C21H26N4O — CID 109166180

IUPACpiperidin-1-yl-[2-(4-pyrrolidin-1-ylanilino)-4-pyridinyl]methanone
SMILESO=C(c1ccnc(Nc2ccc(N3CCCC3)cc2)c1)N1CCCCC1
InChIInChI=1S/C21H26N4O/c26-21(25-14-2-1-3-15-25)17-10-11-22-20(16-17)23-18-6-8-19(9-7-18)24-12-4-5-13-24/h6-11,16H,1-5,12-15H2,(H,22,23)
InChIKeyIIYJFYPMHAJCJO-UHFFFAOYSA-N
MW350.47 g/mol
LogP4.05
Rot. Bonds4

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

piperidin-1-yl-[2-(4-pyrrolidin-1-ylanilino)-4-pyridinyl]methanone (PubChem CID 109166180) has the molecular formula C21H26N4O and a molecular weight of 350.47 g/mol. Its IUPAC name is piperidin-1-yl-[2-(4-pyrrolidin-1-ylanilino)-4-pyridinyl]methanone.

Molecular Properties

Compound Namepiperidin-1-yl-[2-(4-pyrrolidin-1-ylanilino)-4-pyridinyl]methanone
PubChem CID109166180
Molecular FormulaC21H26N4O
Molecular Weight350.47 g/mol
Exact Mass350.21
IUPAC Namepiperidin-1-yl-[2-(4-pyrrolidin-1-ylanilino)-4-pyridinyl]methanone
SMILESO=C(c1ccnc(Nc2ccc(N3CCCC3)cc2)c1)N1CCCCC1
InChIInChI=1S/C21H26N4O/c26-21(25-14-2-1-3-15-25)17-10-11-22-20(16-17)23-18-6-8-19(9-7-18)24-12-4-5-13-24/h6-11,16H,1-5,12-15H2,(H,22,23)
InChIKeyIIYJFYPMHAJCJO-UHFFFAOYSA-N
XLogP4.05
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.47
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

piperidin-1-yl-[6-(4-pyrrolidin-1-ylanilino)-3-pyridinyl]methanone
CID 109152366
N-(4-piperidin-1-ylphenyl)-4-(pyrrolidine-1-carbonyl)pyridine-2-carboxamide
CID 109080459
azepan-1-yl-[4-(4-pyrrolidin-1-ylanilino)-2-pyridinyl]methanone
CID 109218598
[2-[4-(4-methylpiperazin-1-yl)anilino]-4-pyridinyl]-(3-methylpiperidin-1-yl)methanone
CID 109175747
[2-(4-piperidin-1-ylanilino)pyrimidin-5-yl]-pyrrolidin-1-ylmethanone
CID 109249351
N-(4-cyanophenyl)-2-(4-piperidin-1-ylanilino)pyridine-4-carboxamide
CID 109178749
azepan-1-yl-[2-(3-bromo-4-methylanilino)-4-pyridinyl]methanone
CID 109176020
[2-(4-bromo-3-methylanilino)-4-pyridinyl]-piperidin-1-ylmethanone
CID 109166192
azepan-1-yl-[2-(2,6-dichloroanilino)-4-pyridinyl]methanone
CID 109176053
2-N-(4-piperidin-1-ylphenyl)pyridine-2,4-diamine
CID 63179146
azepan-1-yl-[2-(4-pyrrolidin-1-ylanilino)pyrimidin-4-yl]methanone
CID 109313350
N-(2-phenylethyl)-2-(4-pyrrolidin-1-ylanilino)pyridine-4-carboxamide
CID 109172228

Frequently Asked Questions

What is the IUPAC name of piperidin-1-yl-[2-(4-pyrrolidin-1-ylanilino)-4-pyridinyl]methanone?
The IUPAC name of piperidin-1-yl-[2-(4-pyrrolidin-1-ylanilino)-4-pyridinyl]methanone (CID 109166180) is piperidin-1-yl-[2-(4-pyrrolidin-1-ylanilino)-4-pyridinyl]methanone.
What is the SMILES notation for piperidin-1-yl-[2-(4-pyrrolidin-1-ylanilino)-4-pyridinyl]methanone?
The canonical SMILES for piperidin-1-yl-[2-(4-pyrrolidin-1-ylanilino)-4-pyridinyl]methanone is O=C(c1ccnc(Nc2ccc(N3CCCC3)cc2)c1)N1CCCCC1.
What is the InChIKey of piperidin-1-yl-[2-(4-pyrrolidin-1-ylanilino)-4-pyridinyl]methanone?
The InChIKey is IIYJFYPMHAJCJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O/c26-21(25-14-2-1-3-15-25)17-10-11-22-20(16-17)23-18-6-8-19(9-7-18)24-12-4-5-13-24/h6-11,16H,1-5,12-15H2,(H,22,23).
What are the key properties of piperidin-1-yl-[2-(4-pyrrolidin-1-ylanilino)-4-pyridinyl]methanone?
piperidin-1-yl-[2-(4-pyrrolidin-1-ylanilino)-4-pyridinyl]methanone has a molecular weight of 350.47 g/mol, XLogP of 4.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for piperidin-1-yl-[2-(4-pyrrolidin-1-ylanilino)-4-pyridinyl]methanone is sourced from PubChem (CID 109166180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).