(2-ethyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)-pyrrolidin-1-ylmethanone

C22H33N3O — CID 72844409

IUPAC(2-ethyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)-pyrrolidin-1-ylmethanone
SMILESCCN1CC(c2ccccc2)CC2(CCN(C(=O)N3CCCC3)CC2)C1
InChIInChI=1S/C22H33N3O/c1-2-23-17-20(19-8-4-3-5-9-19)16-22(18-23)10-14-25(15-11-22)21(26)24-12-6-7-13-24/h3-5,8-9,20H,2,6-7,10-18H2,1H3
InChIKeyYQSLKVMDWZNRHB-UHFFFAOYSA-N
MW355.53 g/mol
LogP3.79
Rot. Bonds2

About (2-ethyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)-pyrrolidin-1-ylmethanone

(2-ethyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)-pyrrolidin-1-ylmethanone (PubChem CID 72844409) has the molecular formula C22H33N3O and a molecular weight of 355.53 g/mol. Its IUPAC name is (2-ethyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name(2-ethyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)-pyrrolidin-1-ylmethanone
PubChem CID72844409
Molecular FormulaC22H33N3O
Molecular Weight355.53 g/mol
Exact Mass355.26
IUPAC Name(2-ethyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)-pyrrolidin-1-ylmethanone
SMILESCCN1CC(c2ccccc2)CC2(CCN(C(=O)N3CCCC3)CC2)C1
InChIInChI=1S/C22H33N3O/c1-2-23-17-20(19-8-4-3-5-9-19)16-22(18-23)10-14-25(15-11-22)21(26)24-12-6-7-13-24/h3-5,8-9,20H,2,6-7,10-18H2,1H3
InChIKeyYQSLKVMDWZNRHB-UHFFFAOYSA-N
XLogP3.79
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.53
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2-ethyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)-pyrrolidin-1-ylmethanone?
The IUPAC name of (2-ethyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)-pyrrolidin-1-ylmethanone (CID 72844409) is (2-ethyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)-pyrrolidin-1-ylmethanone.
What is the SMILES notation for (2-ethyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)-pyrrolidin-1-ylmethanone?
The canonical SMILES for (2-ethyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)-pyrrolidin-1-ylmethanone is CCN1CC(c2ccccc2)CC2(CCN(C(=O)N3CCCC3)CC2)C1.
What is the InChIKey of (2-ethyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)-pyrrolidin-1-ylmethanone?
The InChIKey is YQSLKVMDWZNRHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N3O/c1-2-23-17-20(19-8-4-3-5-9-19)16-22(18-23)10-14-25(15-11-22)21(26)24-12-6-7-13-24/h3-5,8-9,20H,2,6-7,10-18H2,1H3.
What are the key properties of (2-ethyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)-pyrrolidin-1-ylmethanone?
(2-ethyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)-pyrrolidin-1-ylmethanone has a molecular weight of 355.53 g/mol, XLogP of 3.79, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 72844409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).