5-(3-cyclopentyloxy-4-methoxyphenyl)-3-[[3-(propylamino)phenyl]methyl]piperidin-2-one

C27H36N2O3 — CID 77309850

IUPAC5-(3-cyclopentyloxy-4-methoxyphenyl)-3-[[3-(propylamino)phenyl]methyl]piperidin-2-one
SMILESCCCNc1cccc(CC2CC(c3ccc(OC)c(OC4CCCC4)c3)CNC2=O)c1
InChIInChI=1S/C27H36N2O3/c1-3-13-28-23-8-6-7-19(15-23)14-21-16-22(18-29-27(21)30)20-11-12-25(31-2)26(17-20)32-24-9-4-5-10-24/h6-8,11-12,15,17,21-22,24,28H,3-5,9-10,13-14,16,18H2,1-2H3,(H,29,30)
InChIKeyTXQNDBLQMOLYBP-UHFFFAOYSA-N
MW436.60 g/mol
LogP5.30
Rot. Bonds9

About 5-(3-cyclopentyloxy-4-methoxyphenyl)-3-[[3-(propylamino)phenyl]methyl]piperidin-2-one

5-(3-cyclopentyloxy-4-methoxyphenyl)-3-[[3-(propylamino)phenyl]methyl]piperidin-2-one (PubChem CID 77309850) has the molecular formula C27H36N2O3 and a molecular weight of 436.60 g/mol. Its IUPAC name is 5-(3-cyclopentyloxy-4-methoxyphenyl)-3-[[3-(propylamino)phenyl]methyl]piperidin-2-one.

Molecular Properties

Compound Name5-(3-cyclopentyloxy-4-methoxyphenyl)-3-[[3-(propylamino)phenyl]methyl]piperidin-2-one
PubChem CID77309850
Molecular FormulaC27H36N2O3
Molecular Weight436.60 g/mol
Exact Mass436.27
IUPAC Name5-(3-cyclopentyloxy-4-methoxyphenyl)-3-[[3-(propylamino)phenyl]methyl]piperidin-2-one
SMILESCCCNc1cccc(CC2CC(c3ccc(OC)c(OC4CCCC4)c3)CNC2=O)c1
InChIInChI=1S/C27H36N2O3/c1-3-13-28-23-8-6-7-19(15-23)14-21-16-22(18-29-27(21)30)20-11-12-25(31-2)26(17-20)32-24-9-4-5-10-24/h6-8,11-12,15,17,21-22,24,28H,3-5,9-10,13-14,16,18H2,1-2H3,(H,29,30)
InChIKeyTXQNDBLQMOLYBP-UHFFFAOYSA-N
XLogP5.30
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.60
LogP ≤ 55.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3R,5S)-5-(3-cyclopentyloxy-4-methoxyphenyl)-3-[(3-ethoxyphenyl)methyl]piperidin-2-one
CID 67538278
(3R,5S)-5-(3-cyclopentyloxy-4-methoxyphenyl)-3-[(3-hexoxyphenyl)methyl]piperidin-2-one
CID 67540998
(3S,5S)-5-(3-cyclopentyloxy-4-methoxyphenyl)-3-[(3-heptoxyphenyl)methyl]piperidin-2-one
CID 67538407
(3R,5S)-5-(3-cyclopentyloxy-4-methoxyphenyl)-3-[(3,4-difluorophenyl)methyl]piperidin-2-one
CID 67540464
(3R,5S)-5-(3-cyclopentyloxy-4-methoxyphenyl)-3-(pyridin-3-ylmethyl)piperidin-2-one
CID 67536530
(3S,5S)-5-(3-cyclopentyloxy-4-methoxyphenyl)-3-[(4-phenoxyphenyl)methyl]piperidin-2-one
CID 67540900
5-(3-cyclopentyloxy-4-methoxyphenyl)-3-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-2-one
CID 69046206
(3S,5S)-3-[(4-tert-butylanilino)methyl]-5-(3-cyclopentyloxy-4-methoxyphenyl)piperidin-2-one
CID 67536125
2-[2-[[(3R,5S)-5-(3-cyclopentyloxy-4-methoxyphenyl)-2-oxopiperidin-3-yl]methyl]phenoxy]acetamide
CID 67540503
3-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]-5-(3-cyclopentyloxy-4-methoxyphenyl)piperidin-2-one
CID 69049167
(3R,5S)-3-[(7-chloro-1,3-benzoxazol-2-yl)methyl]-5-(3-cyclopentyloxy-4-methoxyphenyl)piperidin-2-one
CID 67538025
2-[[(3S,5S)-5-(3-cyclopentyloxy-4-methoxyphenyl)-2-oxopiperidin-3-yl]methyl]-1,3-benzoxazole-4-carbonitrile
CID 67537657

Frequently Asked Questions

What is the IUPAC name of 5-(3-cyclopentyloxy-4-methoxyphenyl)-3-[[3-(propylamino)phenyl]methyl]piperidin-2-one?
The IUPAC name of 5-(3-cyclopentyloxy-4-methoxyphenyl)-3-[[3-(propylamino)phenyl]methyl]piperidin-2-one (CID 77309850) is 5-(3-cyclopentyloxy-4-methoxyphenyl)-3-[[3-(propylamino)phenyl]methyl]piperidin-2-one.
What is the SMILES notation for 5-(3-cyclopentyloxy-4-methoxyphenyl)-3-[[3-(propylamino)phenyl]methyl]piperidin-2-one?
The canonical SMILES for 5-(3-cyclopentyloxy-4-methoxyphenyl)-3-[[3-(propylamino)phenyl]methyl]piperidin-2-one is CCCNc1cccc(CC2CC(c3ccc(OC)c(OC4CCCC4)c3)CNC2=O)c1.
What is the InChIKey of 5-(3-cyclopentyloxy-4-methoxyphenyl)-3-[[3-(propylamino)phenyl]methyl]piperidin-2-one?
The InChIKey is TXQNDBLQMOLYBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36N2O3/c1-3-13-28-23-8-6-7-19(15-23)14-21-16-22(18-29-27(21)30)20-11-12-25(31-2)26(17-20)32-24-9-4-5-10-24/h6-8,11-12,15,17,21-22,24,28H,3-5,9-10,13-14,16,18H2,1-2H3,(H,29,30).
What are the key properties of 5-(3-cyclopentyloxy-4-methoxyphenyl)-3-[[3-(propylamino)phenyl]methyl]piperidin-2-one?
5-(3-cyclopentyloxy-4-methoxyphenyl)-3-[[3-(propylamino)phenyl]methyl]piperidin-2-one has a molecular weight of 436.60 g/mol, XLogP of 5.30, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-cyclopentyloxy-4-methoxyphenyl)-3-[[3-(propylamino)phenyl]methyl]piperidin-2-one is sourced from PubChem (CID 77309850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).