8-(cyclopentylmethyl)-2-[2-fluoro-4-[4-[(2S)-2-methylpyrrolidin-1-yl]piperidin-1-yl]phenyl]-2,8-diazaspiro[4.5]decan-1-one

C30H45FN4O — CID 46235462

IUPAC8-(cyclopentylmethyl)-2-[2-fluoro-4-[4-[(2S)-2-methylpyrrolidin-1-yl]piperidin-1-yl]phenyl]-2,8-diazaspiro[4.5]decan-1-one
SMILESC[C@H]1CCCN1C1CCN(c2ccc(N3CCC4(CCN(CC5CCCC5)CC4)C3=O)c(F)c2)CC1
InChIInChI=1S/C30H45FN4O/c1-23-5-4-15-34(23)25-10-16-33(17-11-25)26-8-9-28(27(31)21-26)35-20-14-30(29(35)36)12-18-32(19-13-30)22-24-6-2-3-7-24/h8-9,21,23-25H,2-7,10-20,22H2,1H3/t23-/m0/s1
InChIKeyPCUDMIQWRAJEOI-QHCPKHFHSA-N
MW496.72 g/mol
LogP5.29
Rot. Bonds5

About 8-(cyclopentylmethyl)-2-[2-fluoro-4-[4-[(2S)-2-methylpyrrolidin-1-yl]piperidin-1-yl]phenyl]-2,8-diazaspiro[4.5]decan-1-one

8-(cyclopentylmethyl)-2-[2-fluoro-4-[4-[(2S)-2-methylpyrrolidin-1-yl]piperidin-1-yl]phenyl]-2,8-diazaspiro[4.5]decan-1-one (PubChem CID 46235462) has the molecular formula C30H45FN4O and a molecular weight of 496.72 g/mol. Its IUPAC name is 8-(cyclopentylmethyl)-2-[2-fluoro-4-[4-[(2S)-2-methylpyrrolidin-1-yl]piperidin-1-yl]phenyl]-2,8-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name8-(cyclopentylmethyl)-2-[2-fluoro-4-[4-[(2S)-2-methylpyrrolidin-1-yl]piperidin-1-yl]phenyl]-2,8-diazaspiro[4.5]decan-1-one
PubChem CID46235462
Molecular FormulaC30H45FN4O
Molecular Weight496.72 g/mol
Exact Mass496.36
IUPAC Name8-(cyclopentylmethyl)-2-[2-fluoro-4-[4-[(2S)-2-methylpyrrolidin-1-yl]piperidin-1-yl]phenyl]-2,8-diazaspiro[4.5]decan-1-one
SMILESC[C@H]1CCCN1C1CCN(c2ccc(N3CCC4(CCN(CC5CCCC5)CC4)C3=O)c(F)c2)CC1
InChIInChI=1S/C30H45FN4O/c1-23-5-4-15-34(23)25-10-16-33(17-11-25)26-8-9-28(27(31)21-26)35-20-14-30(29(35)36)12-18-32(19-13-30)22-24-6-2-3-7-24/h8-9,21,23-25H,2-7,10-20,22H2,1H3/t23-/m0/s1
InChIKeyPCUDMIQWRAJEOI-QHCPKHFHSA-N
XLogP5.29
TPSA30.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.72
LogP ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 8-(cyclopentylmethyl)-2-[2-fluoro-4-[4-[(2S)-2-methylpyrrolidin-1-yl]piperidin-1-yl]phenyl]-2,8-diazaspiro[4.5]decan-1-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-(cyclopentylmethyl)-2-[2-fluoro-4-[4-[(2S)-2-methylpyrrolidin-1-yl]piperidin-1-yl]phenyl]-2,8-diazaspiro[4.5]decan-1-one?
The IUPAC name of 8-(cyclopentylmethyl)-2-[2-fluoro-4-[4-[(2S)-2-methylpyrrolidin-1-yl]piperidin-1-yl]phenyl]-2,8-diazaspiro[4.5]decan-1-one (CID 46235462) is 8-(cyclopentylmethyl)-2-[2-fluoro-4-[4-[(2S)-2-methylpyrrolidin-1-yl]piperidin-1-yl]phenyl]-2,8-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for 8-(cyclopentylmethyl)-2-[2-fluoro-4-[4-[(2S)-2-methylpyrrolidin-1-yl]piperidin-1-yl]phenyl]-2,8-diazaspiro[4.5]decan-1-one?
The canonical SMILES for 8-(cyclopentylmethyl)-2-[2-fluoro-4-[4-[(2S)-2-methylpyrrolidin-1-yl]piperidin-1-yl]phenyl]-2,8-diazaspiro[4.5]decan-1-one is C[C@H]1CCCN1C1CCN(c2ccc(N3CCC4(CCN(CC5CCCC5)CC4)C3=O)c(F)c2)CC1.
What is the InChIKey of 8-(cyclopentylmethyl)-2-[2-fluoro-4-[4-[(2S)-2-methylpyrrolidin-1-yl]piperidin-1-yl]phenyl]-2,8-diazaspiro[4.5]decan-1-one?
The InChIKey is PCUDMIQWRAJEOI-QHCPKHFHSA-N. The full InChI is InChI=1S/C30H45FN4O/c1-23-5-4-15-34(23)25-10-16-33(17-11-25)26-8-9-28(27(31)21-26)35-20-14-30(29(35)36)12-18-32(19-13-30)22-24-6-2-3-7-24/h8-9,21,23-25H,2-7,10-20,22H2,1H3/t23-/m0/s1.
What are the key properties of 8-(cyclopentylmethyl)-2-[2-fluoro-4-[4-[(2S)-2-methylpyrrolidin-1-yl]piperidin-1-yl]phenyl]-2,8-diazaspiro[4.5]decan-1-one?
8-(cyclopentylmethyl)-2-[2-fluoro-4-[4-[(2S)-2-methylpyrrolidin-1-yl]piperidin-1-yl]phenyl]-2,8-diazaspiro[4.5]decan-1-one has a molecular weight of 496.72 g/mol, XLogP of 5.29, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(cyclopentylmethyl)-2-[2-fluoro-4-[4-[(2S)-2-methylpyrrolidin-1-yl]piperidin-1-yl]phenyl]-2,8-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 46235462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).