[3-[(3-methoxyoxan-4-yl)amino]-1-methylcyclopentyl]-(4-phenylpiperidin-1-yl)methanone

C24H36N2O3 — CID 143164089

IUPAC[3-[(3-methoxyoxan-4-yl)amino]-1-methylcyclopentyl]-(4-phenylpiperidin-1-yl)methanone
SMILESCOC1COCCC1NC1CCC(C)(C(=O)N2CCC(c3ccccc3)CC2)C1
InChIInChI=1S/C24H36N2O3/c1-24(12-8-20(16-24)25-21-11-15-29-17-22(21)28-2)23(27)26-13-9-19(10-14-26)18-6-4-3-5-7-18/h3-7,19-22,25H,8-17H2,1-2H3
InChIKeyFQFNBDQGBPBXMM-UHFFFAOYSA-N
MW400.56 g/mol
LogP3.34
Rot. Bonds5

About [3-[(3-methoxyoxan-4-yl)amino]-1-methylcyclopentyl]-(4-phenylpiperidin-1-yl)methanone

[3-[(3-methoxyoxan-4-yl)amino]-1-methylcyclopentyl]-(4-phenylpiperidin-1-yl)methanone (PubChem CID 143164089) has the molecular formula C24H36N2O3 and a molecular weight of 400.56 g/mol. Its IUPAC name is [3-[(3-methoxyoxan-4-yl)amino]-1-methylcyclopentyl]-(4-phenylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[3-[(3-methoxyoxan-4-yl)amino]-1-methylcyclopentyl]-(4-phenylpiperidin-1-yl)methanone
PubChem CID143164089
Molecular FormulaC24H36N2O3
Molecular Weight400.56 g/mol
Exact Mass400.27
IUPAC Name[3-[(3-methoxyoxan-4-yl)amino]-1-methylcyclopentyl]-(4-phenylpiperidin-1-yl)methanone
SMILESCOC1COCCC1NC1CCC(C)(C(=O)N2CCC(c3ccccc3)CC2)C1
InChIInChI=1S/C24H36N2O3/c1-24(12-8-20(16-24)25-21-11-15-29-17-22(21)28-2)23(27)26-13-9-19(10-14-26)18-6-4-3-5-7-18/h3-7,19-22,25H,8-17H2,1-2H3
InChIKeyFQFNBDQGBPBXMM-UHFFFAOYSA-N
XLogP3.34
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.56
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

trans-(1S,3R)-3-[[(3S,4S)-3-methoxyoxan-4-yl]amino]-1-propan-2-ylcyclopentane-1-carboxylic acid
CID 58629612
trans-benzyl (1S,3R)-3-[(3-methoxyoxan-4-yl)amino]-1-propan-2-ylcyclopentane-1-carboxylate
CID 58784515
[(1S,3R)-3-[[(3R,4R)-3-methoxyoxan-4-yl]amino]-1-propan-2-ylcyclopentyl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 53326701
[(1S,3R)-3-[(3-methoxyoxan-4-yl)amino]-1-propan-2-ylcyclopentyl]-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone
CID 58784550
(2S)-3'-[(3-methoxyoxan-4-yl)amino]-1-methyl-7-phenylspiro[1,5,8,8a-tetrahydroindolizine-2,1'-cyclopentane]-3-one
CID 70987422
[(1S,3R)-3-[[(3S,4S)-3-methoxyoxan-4-yl]amino]-1-propan-2-ylcyclopentyl]-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methanone
CID 53322810
[(1S,3R)-1-(methoxymethyl)-3-[[(4R)-3-methoxyoxan-4-yl]amino]cyclopentyl]-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methanone
CID 69006360
[(1S,3R)-3-[[(3S,4S)-3-methoxyoxan-4-yl]amino]-1-propan-2-ylcyclopentyl]-[4-[2-(trifluoromethyl)-4-pyridinyl]piperazin-1-yl]methanone
CID 54585107
[(1S,3R)-1-(2-methoxyethyl)-3-[[(4R)-3-methoxyoxan-4-yl]amino]cyclopentyl]-[4-[4-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone
CID 69010774
[(3aS,5S,6aR)-5-[[(3S,4S)-3-methoxyoxan-4-yl]amino]-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a-yl]-[4-[6-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone
CID 71768832
[(1R,3S)-3-[[(3R,4S)-3-methoxyoxan-4-yl]amino]-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone
CID 118618886
2-[(1S,3R)-3-[[(3R,4R)-3-methoxyoxan-4-yl]amino]-1-propan-2-ylcyclopentanecarbonyl]-7-(trifluoromethyl)-1,3-dihydroisoquinolin-4-one
CID 142827000

Frequently Asked Questions

What is the IUPAC name of [3-[(3-methoxyoxan-4-yl)amino]-1-methylcyclopentyl]-(4-phenylpiperidin-1-yl)methanone?
The IUPAC name of [3-[(3-methoxyoxan-4-yl)amino]-1-methylcyclopentyl]-(4-phenylpiperidin-1-yl)methanone (CID 143164089) is [3-[(3-methoxyoxan-4-yl)amino]-1-methylcyclopentyl]-(4-phenylpiperidin-1-yl)methanone.
What is the SMILES notation for [3-[(3-methoxyoxan-4-yl)amino]-1-methylcyclopentyl]-(4-phenylpiperidin-1-yl)methanone?
The canonical SMILES for [3-[(3-methoxyoxan-4-yl)amino]-1-methylcyclopentyl]-(4-phenylpiperidin-1-yl)methanone is COC1COCCC1NC1CCC(C)(C(=O)N2CCC(c3ccccc3)CC2)C1.
What is the InChIKey of [3-[(3-methoxyoxan-4-yl)amino]-1-methylcyclopentyl]-(4-phenylpiperidin-1-yl)methanone?
The InChIKey is FQFNBDQGBPBXMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36N2O3/c1-24(12-8-20(16-24)25-21-11-15-29-17-22(21)28-2)23(27)26-13-9-19(10-14-26)18-6-4-3-5-7-18/h3-7,19-22,25H,8-17H2,1-2H3.
What are the key properties of [3-[(3-methoxyoxan-4-yl)amino]-1-methylcyclopentyl]-(4-phenylpiperidin-1-yl)methanone?
[3-[(3-methoxyoxan-4-yl)amino]-1-methylcyclopentyl]-(4-phenylpiperidin-1-yl)methanone has a molecular weight of 400.56 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(3-methoxyoxan-4-yl)amino]-1-methylcyclopentyl]-(4-phenylpiperidin-1-yl)methanone is sourced from PubChem (CID 143164089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).