cyclopentyl-[9-(2-pyrrolidin-1-ylethyl)-2,9-diazaspiro[5.5]undecan-2-yl]methanone

C21H37N3O — CID 97484588

IUPACcyclopentyl-[9-(2-pyrrolidin-1-ylethyl)-2,9-diazaspiro[5.5]undecan-2-yl]methanone
SMILESO=C(C1CCCC1)N1CCCC2(CCN(CCN3CCCC3)CC2)C1
InChIInChI=1S/C21H37N3O/c25-20(19-6-1-2-7-19)24-13-5-8-21(18-24)9-14-23(15-10-21)17-16-22-11-3-4-12-22/h19H,1-18H2
InChIKeyODXLPHCAEFJPTG-UHFFFAOYSA-N
MW347.55 g/mol
LogP2.98
Rot. Bonds4

About cyclopentyl-[9-(2-pyrrolidin-1-ylethyl)-2,9-diazaspiro[5.5]undecan-2-yl]methanone

cyclopentyl-[9-(2-pyrrolidin-1-ylethyl)-2,9-diazaspiro[5.5]undecan-2-yl]methanone (PubChem CID 97484588) has the molecular formula C21H37N3O and a molecular weight of 347.55 g/mol. Its IUPAC name is cyclopentyl-[9-(2-pyrrolidin-1-ylethyl)-2,9-diazaspiro[5.5]undecan-2-yl]methanone.

Molecular Properties

Compound Namecyclopentyl-[9-(2-pyrrolidin-1-ylethyl)-2,9-diazaspiro[5.5]undecan-2-yl]methanone
PubChem CID97484588
Molecular FormulaC21H37N3O
Molecular Weight347.55 g/mol
Exact Mass347.29
IUPAC Namecyclopentyl-[9-(2-pyrrolidin-1-ylethyl)-2,9-diazaspiro[5.5]undecan-2-yl]methanone
SMILESO=C(C1CCCC1)N1CCCC2(CCN(CCN3CCCC3)CC2)C1
InChIInChI=1S/C21H37N3O/c25-20(19-6-1-2-7-19)24-13-5-8-21(18-24)9-14-23(15-10-21)17-16-22-11-3-4-12-22/h19H,1-18H2
InChIKeyODXLPHCAEFJPTG-UHFFFAOYSA-N
XLogP2.98
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.55
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cyclopentyl-[9-(2-pyrrolidin-1-ylethyl)-2,9-diazaspiro[5.5]undecan-2-yl]methanone?
The IUPAC name of cyclopentyl-[9-(2-pyrrolidin-1-ylethyl)-2,9-diazaspiro[5.5]undecan-2-yl]methanone (CID 97484588) is cyclopentyl-[9-(2-pyrrolidin-1-ylethyl)-2,9-diazaspiro[5.5]undecan-2-yl]methanone.
What is the SMILES notation for cyclopentyl-[9-(2-pyrrolidin-1-ylethyl)-2,9-diazaspiro[5.5]undecan-2-yl]methanone?
The canonical SMILES for cyclopentyl-[9-(2-pyrrolidin-1-ylethyl)-2,9-diazaspiro[5.5]undecan-2-yl]methanone is O=C(C1CCCC1)N1CCCC2(CCN(CCN3CCCC3)CC2)C1.
What is the InChIKey of cyclopentyl-[9-(2-pyrrolidin-1-ylethyl)-2,9-diazaspiro[5.5]undecan-2-yl]methanone?
The InChIKey is ODXLPHCAEFJPTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H37N3O/c25-20(19-6-1-2-7-19)24-13-5-8-21(18-24)9-14-23(15-10-21)17-16-22-11-3-4-12-22/h19H,1-18H2.
What are the key properties of cyclopentyl-[9-(2-pyrrolidin-1-ylethyl)-2,9-diazaspiro[5.5]undecan-2-yl]methanone?
cyclopentyl-[9-(2-pyrrolidin-1-ylethyl)-2,9-diazaspiro[5.5]undecan-2-yl]methanone has a molecular weight of 347.55 g/mol, XLogP of 2.98, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl-[9-(2-pyrrolidin-1-ylethyl)-2,9-diazaspiro[5.5]undecan-2-yl]methanone is sourced from PubChem (CID 97484588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).