2-[4-[4-(2-pyridin-3-yloxyethylamino)piperidin-1-yl]phenyl]-1-pyrrolidin-1-ylethanone

C24H32N4O2 — CID 126467509

IUPAC2-[4-[4-(2-pyridin-3-yloxyethylamino)piperidin-1-yl]phenyl]-1-pyrrolidin-1-ylethanone
SMILESO=C(Cc1ccc(N2CCC(NCCOc3cccnc3)CC2)cc1)N1CCCC1
InChIInChI=1S/C24H32N4O2/c29-24(28-13-1-2-14-28)18-20-5-7-22(8-6-20)27-15-9-21(10-16-27)26-12-17-30-23-4-3-11-25-19-23/h3-8,11,19,21,26H,1-2,9-10,12-18H2
InChIKeyWFASOXTUMOHLCN-UHFFFAOYSA-N
MW408.55 g/mol
LogP2.88
Rot. Bonds8

About 2-[4-[4-(2-pyridin-3-yloxyethylamino)piperidin-1-yl]phenyl]-1-pyrrolidin-1-ylethanone

2-[4-[4-(2-pyridin-3-yloxyethylamino)piperidin-1-yl]phenyl]-1-pyrrolidin-1-ylethanone (PubChem CID 126467509) has the molecular formula C24H32N4O2 and a molecular weight of 408.55 g/mol. Its IUPAC name is 2-[4-[4-(2-pyridin-3-yloxyethylamino)piperidin-1-yl]phenyl]-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-[4-[4-(2-pyridin-3-yloxyethylamino)piperidin-1-yl]phenyl]-1-pyrrolidin-1-ylethanone
PubChem CID126467509
Molecular FormulaC24H32N4O2
Molecular Weight408.55 g/mol
Exact Mass408.25
IUPAC Name2-[4-[4-(2-pyridin-3-yloxyethylamino)piperidin-1-yl]phenyl]-1-pyrrolidin-1-ylethanone
SMILESO=C(Cc1ccc(N2CCC(NCCOc3cccnc3)CC2)cc1)N1CCCC1
InChIInChI=1S/C24H32N4O2/c29-24(28-13-1-2-14-28)18-20-5-7-22(8-6-20)27-15-9-21(10-16-27)26-12-17-30-23-4-3-11-25-19-23/h3-8,11,19,21,26H,1-2,9-10,12-18H2
InChIKeyWFASOXTUMOHLCN-UHFFFAOYSA-N
XLogP2.88
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.55
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

ethyl 4-[4-[4-(2-pyridin-3-yloxyethylamino)piperidin-1-yl]benzoyl]piperazine-1-carboxylate
CID 42483061
2-[4-[4-(butan-2-ylamino)piperidin-1-yl]phenyl]-1-pyrrolidin-1-ylethanone
CID 45169754
2-(4-fluorophenyl)-1-[4-(2-pyridin-3-yloxyethyl)piperidin-1-yl]ethanone
CID 53151003
methyl (2S)-1-[2-[4-[4-(pyridin-3-ylmethylamino)piperidin-1-yl]phenyl]acetyl]pyrrolidine-2-carboxylate
CID 126462568
2-[(1-pyridin-4-ylpiperidin-4-yl)amino]ethyl carbamate
CID 83210815
1-[4-(2-phenoxyethylamino)piperidin-1-yl]ethanone
CID 54941279
2-(2-chlorophenyl)-1-[4-(2-pyridin-3-yloxyethyl)piperidin-1-yl]ethanone
CID 53151004
2-(3-fluorophenyl)-1-[4-(2-pyridin-3-yloxyethyl)piperidin-1-yl]ethanone
CID 53151002
[4-[2-(2-chlorophenoxy)ethylamino]piperidin-1-yl]-pyridin-3-ylmethanone
CID 56715372
ethyl 4-[4-[4-(3-pyridin-3-ylpropylamino)piperidin-1-yl]benzoyl]piperazine-1-carboxylate
CID 42162659
4-[4-[2-(cyclohexen-1-yl)ethylamino]piperidin-1-yl]-N-(pyridin-3-ylmethyl)benzamide
CID 26402975
2-[4-[4-[(3R)-3-methoxypiperidin-1-yl]piperidin-1-yl]phenyl]-1-pyrrolidin-1-ylethanone
CID 26339597

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-(2-pyridin-3-yloxyethylamino)piperidin-1-yl]phenyl]-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-[4-[4-(2-pyridin-3-yloxyethylamino)piperidin-1-yl]phenyl]-1-pyrrolidin-1-ylethanone (CID 126467509) is 2-[4-[4-(2-pyridin-3-yloxyethylamino)piperidin-1-yl]phenyl]-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-[4-[4-(2-pyridin-3-yloxyethylamino)piperidin-1-yl]phenyl]-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-[4-[4-(2-pyridin-3-yloxyethylamino)piperidin-1-yl]phenyl]-1-pyrrolidin-1-ylethanone is O=C(Cc1ccc(N2CCC(NCCOc3cccnc3)CC2)cc1)N1CCCC1.
What is the InChIKey of 2-[4-[4-(2-pyridin-3-yloxyethylamino)piperidin-1-yl]phenyl]-1-pyrrolidin-1-ylethanone?
The InChIKey is WFASOXTUMOHLCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O2/c29-24(28-13-1-2-14-28)18-20-5-7-22(8-6-20)27-15-9-21(10-16-27)26-12-17-30-23-4-3-11-25-19-23/h3-8,11,19,21,26H,1-2,9-10,12-18H2.
What are the key properties of 2-[4-[4-(2-pyridin-3-yloxyethylamino)piperidin-1-yl]phenyl]-1-pyrrolidin-1-ylethanone?
2-[4-[4-(2-pyridin-3-yloxyethylamino)piperidin-1-yl]phenyl]-1-pyrrolidin-1-ylethanone has a molecular weight of 408.55 g/mol, XLogP of 2.88, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-(2-pyridin-3-yloxyethylamino)piperidin-1-yl]phenyl]-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 126467509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).