N-[3-[4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]phenoxy]propyl]oxolane-2-carboxamide

C24H32N4O3 — CID 45248375

IUPACN-[3-[4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]phenoxy]propyl]oxolane-2-carboxamide
SMILESO=C(NCCCOc1ccc(CN2CCN(c3ccccn3)CC2)cc1)C1CCCO1
InChIInChI=1S/C24H32N4O3/c29-24(22-5-3-17-31-22)26-12-4-18-30-21-9-7-20(8-10-21)19-27-13-15-28(16-14-27)23-6-1-2-11-25-23/h1-2,6-11,22H,3-5,12-19H2,(H,26,29)
InChIKeyDGULDBMFVGWIMB-UHFFFAOYSA-N
MW424.55 g/mol
LogP2.47
Rot. Bonds9

About N-[3-[4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]phenoxy]propyl]oxolane-2-carboxamide

N-[3-[4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]phenoxy]propyl]oxolane-2-carboxamide (PubChem CID 45248375) has the molecular formula C24H32N4O3 and a molecular weight of 424.55 g/mol. Its IUPAC name is N-[3-[4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]phenoxy]propyl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[3-[4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]phenoxy]propyl]oxolane-2-carboxamide
PubChem CID45248375
Molecular FormulaC24H32N4O3
Molecular Weight424.55 g/mol
Exact Mass424.25
IUPAC NameN-[3-[4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]phenoxy]propyl]oxolane-2-carboxamide
SMILESO=C(NCCCOc1ccc(CN2CCN(c3ccccn3)CC2)cc1)C1CCCO1
InChIInChI=1S/C24H32N4O3/c29-24(22-5-3-17-31-22)26-12-4-18-30-21-9-7-20(8-10-21)19-27-13-15-28(16-14-27)23-6-1-2-11-25-23/h1-2,6-11,22H,3-5,12-19H2,(H,26,29)
InChIKeyDGULDBMFVGWIMB-UHFFFAOYSA-N
XLogP2.47
TPSA66.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.55
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2S)-N-[3-[4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]phenoxy]propyl]oxolane-2-carboxamide
CID 26353443
2-(4-fluorophenyl)-N-[3-[4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]phenoxy]propyl]acetamide
CID 26275783
N-(3-phenoxypropyl)oxolane-2-carboxamide
CID 74588309
(2R)-N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]oxolane-2-carboxamide
CID 95100125
(2R)-N-[2-(4-benzylpiperazin-1-yl)ethyl]oxolane-2-carboxamide
CID 39303318
N-(3-phenoxypropyl)-4-pyridin-2-ylpiperazine-1-carboxamide
CID 108883277
N-[3-[4-(morpholin-4-ylmethyl)phenoxy]propyl]cyclohexanecarboxamide
CID 29214226
N'-methyl-N-[3-(oxolan-2-ylmethoxy)propyl]-4-pyridin-2-ylpiperazine-1-carboximidamide
CID 111219669
N-[3-[1-[4-(4-ethylphenoxy)butyl]benzimidazol-2-yl]propyl]oxolane-2-carboxamide
CID 16981893
oxan-2-yl-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 110854880
N-[2-(1-benzylimidazol-2-yl)ethyl]oxolane-2-carboxamide
CID 42951665
(2S)-N-[4-(4-benzylpiperazin-1-yl)phenyl]oxolane-2-carboxamide
CID 35893855

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]phenoxy]propyl]oxolane-2-carboxamide?
The IUPAC name of N-[3-[4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]phenoxy]propyl]oxolane-2-carboxamide (CID 45248375) is N-[3-[4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]phenoxy]propyl]oxolane-2-carboxamide.
What is the SMILES notation for N-[3-[4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]phenoxy]propyl]oxolane-2-carboxamide?
The canonical SMILES for N-[3-[4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]phenoxy]propyl]oxolane-2-carboxamide is O=C(NCCCOc1ccc(CN2CCN(c3ccccn3)CC2)cc1)C1CCCO1.
What is the InChIKey of N-[3-[4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]phenoxy]propyl]oxolane-2-carboxamide?
The InChIKey is DGULDBMFVGWIMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O3/c29-24(22-5-3-17-31-22)26-12-4-18-30-21-9-7-20(8-10-21)19-27-13-15-28(16-14-27)23-6-1-2-11-25-23/h1-2,6-11,22H,3-5,12-19H2,(H,26,29).
What are the key properties of N-[3-[4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]phenoxy]propyl]oxolane-2-carboxamide?
N-[3-[4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]phenoxy]propyl]oxolane-2-carboxamide has a molecular weight of 424.55 g/mol, XLogP of 2.47, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]phenoxy]propyl]oxolane-2-carboxamide is sourced from PubChem (CID 45248375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).