N-[4-[[4-[4-(pyrrolidine-1-carbonyl)phenoxy]piperidin-1-yl]methyl]phenyl]acetamide

C25H31N3O3 — CID 24793285

IUPACN-[4-[[4-[4-(pyrrolidine-1-carbonyl)phenoxy]piperidin-1-yl]methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(CN2CCC(Oc3ccc(C(=O)N4CCCC4)cc3)CC2)cc1
InChIInChI=1S/C25H31N3O3/c1-19(29)26-22-8-4-20(5-9-22)18-27-16-12-24(13-17-27)31-23-10-6-21(7-11-23)25(30)28-14-2-3-15-28/h4-11,24H,2-3,12-18H2,1H3,(H,26,29)
InChIKeyBXNNUSBUCLWVEV-UHFFFAOYSA-N
MW421.54 g/mol
LogP3.92
Rot. Bonds6

About N-[4-[[4-[4-(pyrrolidine-1-carbonyl)phenoxy]piperidin-1-yl]methyl]phenyl]acetamide

N-[4-[[4-[4-(pyrrolidine-1-carbonyl)phenoxy]piperidin-1-yl]methyl]phenyl]acetamide (PubChem CID 24793285) has the molecular formula C25H31N3O3 and a molecular weight of 421.54 g/mol. Its IUPAC name is N-[4-[[4-[4-(pyrrolidine-1-carbonyl)phenoxy]piperidin-1-yl]methyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[4-[4-(pyrrolidine-1-carbonyl)phenoxy]piperidin-1-yl]methyl]phenyl]acetamide
PubChem CID24793285
Molecular FormulaC25H31N3O3
Molecular Weight421.54 g/mol
Exact Mass421.24
IUPAC NameN-[4-[[4-[4-(pyrrolidine-1-carbonyl)phenoxy]piperidin-1-yl]methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(CN2CCC(Oc3ccc(C(=O)N4CCCC4)cc3)CC2)cc1
InChIInChI=1S/C25H31N3O3/c1-19(29)26-22-8-4-20(5-9-22)18-27-16-12-24(13-17-27)31-23-10-6-21(7-11-23)25(30)28-14-2-3-15-28/h4-11,24H,2-3,12-18H2,1H3,(H,26,29)
InChIKeyBXNNUSBUCLWVEV-UHFFFAOYSA-N
XLogP3.92
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.54
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-[[4-[4-(pyrrolidine-1-carbonyl)phenoxy]piperidin-1-yl]methyl]phenyl]acetamide?
The IUPAC name of N-[4-[[4-[4-(pyrrolidine-1-carbonyl)phenoxy]piperidin-1-yl]methyl]phenyl]acetamide (CID 24793285) is N-[4-[[4-[4-(pyrrolidine-1-carbonyl)phenoxy]piperidin-1-yl]methyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[[4-[4-(pyrrolidine-1-carbonyl)phenoxy]piperidin-1-yl]methyl]phenyl]acetamide?
The canonical SMILES for N-[4-[[4-[4-(pyrrolidine-1-carbonyl)phenoxy]piperidin-1-yl]methyl]phenyl]acetamide is CC(=O)Nc1ccc(CN2CCC(Oc3ccc(C(=O)N4CCCC4)cc3)CC2)cc1.
What is the InChIKey of N-[4-[[4-[4-(pyrrolidine-1-carbonyl)phenoxy]piperidin-1-yl]methyl]phenyl]acetamide?
The InChIKey is BXNNUSBUCLWVEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O3/c1-19(29)26-22-8-4-20(5-9-22)18-27-16-12-24(13-17-27)31-23-10-6-21(7-11-23)25(30)28-14-2-3-15-28/h4-11,24H,2-3,12-18H2,1H3,(H,26,29).
What are the key properties of N-[4-[[4-[4-(pyrrolidine-1-carbonyl)phenoxy]piperidin-1-yl]methyl]phenyl]acetamide?
N-[4-[[4-[4-(pyrrolidine-1-carbonyl)phenoxy]piperidin-1-yl]methyl]phenyl]acetamide has a molecular weight of 421.54 g/mol, XLogP of 3.92, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[4-[4-(pyrrolidine-1-carbonyl)phenoxy]piperidin-1-yl]methyl]phenyl]acetamide is sourced from PubChem (CID 24793285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).