2-cyclopentyl-1-[(4S)-4-[4-(2-methylpropyl)piperazin-1-yl]-1-oxa-9-azaspiro[5.5]undecan-9-yl]ethanone

C24H43N3O2 — CID 125462412

IUPAC2-cyclopentyl-1-[(4S)-4-[4-(2-methylpropyl)piperazin-1-yl]-1-oxa-9-azaspiro[5.5]undecan-9-yl]ethanone
SMILESCC(C)CN1CCN([C@H]2CCOC3(CCN(C(=O)CC4CCCC4)CC3)C2)CC1
InChIInChI=1S/C24H43N3O2/c1-20(2)19-25-12-14-26(15-13-25)22-7-16-29-24(18-22)8-10-27(11-9-24)23(28)17-21-5-3-4-6-21/h20-22H,3-19H2,1-2H3/t22-/m0/s1
InChIKeyUJVOSMAQRURRKD-QFIPXVFZSA-N
MW405.63 g/mol
LogP3.38
Rot. Bonds5

About 2-cyclopentyl-1-[(4S)-4-[4-(2-methylpropyl)piperazin-1-yl]-1-oxa-9-azaspiro[5.5]undecan-9-yl]ethanone

2-cyclopentyl-1-[(4S)-4-[4-(2-methylpropyl)piperazin-1-yl]-1-oxa-9-azaspiro[5.5]undecan-9-yl]ethanone (PubChem CID 125462412) has the molecular formula C24H43N3O2 and a molecular weight of 405.63 g/mol. Its IUPAC name is 2-cyclopentyl-1-[(4S)-4-[4-(2-methylpropyl)piperazin-1-yl]-1-oxa-9-azaspiro[5.5]undecan-9-yl]ethanone.

Molecular Properties

Compound Name2-cyclopentyl-1-[(4S)-4-[4-(2-methylpropyl)piperazin-1-yl]-1-oxa-9-azaspiro[5.5]undecan-9-yl]ethanone
PubChem CID125462412
Molecular FormulaC24H43N3O2
Molecular Weight405.63 g/mol
Exact Mass405.34
IUPAC Name2-cyclopentyl-1-[(4S)-4-[4-(2-methylpropyl)piperazin-1-yl]-1-oxa-9-azaspiro[5.5]undecan-9-yl]ethanone
SMILESCC(C)CN1CCN([C@H]2CCOC3(CCN(C(=O)CC4CCCC4)CC3)C2)CC1
InChIInChI=1S/C24H43N3O2/c1-20(2)19-25-12-14-26(15-13-25)22-7-16-29-24(18-22)8-10-27(11-9-24)23(28)17-21-5-3-4-6-21/h20-22H,3-19H2,1-2H3/t22-/m0/s1
InChIKeyUJVOSMAQRURRKD-QFIPXVFZSA-N
XLogP3.38
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.63
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-1-[(4S)-4-[4-(2-methylpropyl)piperazin-1-yl]-1-oxa-9-azaspiro[5.5]undecan-9-yl]ethanone?
The IUPAC name of 2-cyclopentyl-1-[(4S)-4-[4-(2-methylpropyl)piperazin-1-yl]-1-oxa-9-azaspiro[5.5]undecan-9-yl]ethanone (CID 125462412) is 2-cyclopentyl-1-[(4S)-4-[4-(2-methylpropyl)piperazin-1-yl]-1-oxa-9-azaspiro[5.5]undecan-9-yl]ethanone.
What is the SMILES notation for 2-cyclopentyl-1-[(4S)-4-[4-(2-methylpropyl)piperazin-1-yl]-1-oxa-9-azaspiro[5.5]undecan-9-yl]ethanone?
The canonical SMILES for 2-cyclopentyl-1-[(4S)-4-[4-(2-methylpropyl)piperazin-1-yl]-1-oxa-9-azaspiro[5.5]undecan-9-yl]ethanone is CC(C)CN1CCN([C@H]2CCOC3(CCN(C(=O)CC4CCCC4)CC3)C2)CC1.
What is the InChIKey of 2-cyclopentyl-1-[(4S)-4-[4-(2-methylpropyl)piperazin-1-yl]-1-oxa-9-azaspiro[5.5]undecan-9-yl]ethanone?
The InChIKey is UJVOSMAQRURRKD-QFIPXVFZSA-N. The full InChI is InChI=1S/C24H43N3O2/c1-20(2)19-25-12-14-26(15-13-25)22-7-16-29-24(18-22)8-10-27(11-9-24)23(28)17-21-5-3-4-6-21/h20-22H,3-19H2,1-2H3/t22-/m0/s1.
What are the key properties of 2-cyclopentyl-1-[(4S)-4-[4-(2-methylpropyl)piperazin-1-yl]-1-oxa-9-azaspiro[5.5]undecan-9-yl]ethanone?
2-cyclopentyl-1-[(4S)-4-[4-(2-methylpropyl)piperazin-1-yl]-1-oxa-9-azaspiro[5.5]undecan-9-yl]ethanone has a molecular weight of 405.63 g/mol, XLogP of 3.38, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-1-[(4S)-4-[4-(2-methylpropyl)piperazin-1-yl]-1-oxa-9-azaspiro[5.5]undecan-9-yl]ethanone is sourced from PubChem (CID 125462412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).