[(6S)-11-ethyl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-pyrrolidin-1-ylmethanone

C16H29N3O2 — CID 97372902

IUPAC[(6S)-11-ethyl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-pyrrolidin-1-ylmethanone
SMILESCCN1CCOC[C@@]2(CCCN(C(=O)N3CCCC3)C2)C1
InChIInChI=1S/C16H29N3O2/c1-2-17-10-11-21-14-16(12-17)6-5-9-19(13-16)15(20)18-7-3-4-8-18/h2-14H2,1H3/t16-/m0/s1
InChIKeyWSAZDTAKHVDRCR-INIZCTEOSA-N
MW295.43 g/mol
LogP1.64
Rot. Bonds1

About [(6S)-11-ethyl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-pyrrolidin-1-ylmethanone

[(6S)-11-ethyl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-pyrrolidin-1-ylmethanone (PubChem CID 97372902) has the molecular formula C16H29N3O2 and a molecular weight of 295.43 g/mol. Its IUPAC name is [(6S)-11-ethyl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[(6S)-11-ethyl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-pyrrolidin-1-ylmethanone
PubChem CID97372902
Molecular FormulaC16H29N3O2
Molecular Weight295.43 g/mol
Exact Mass295.23
IUPAC Name[(6S)-11-ethyl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-pyrrolidin-1-ylmethanone
SMILESCCN1CCOC[C@@]2(CCCN(C(=O)N3CCCC3)C2)C1
InChIInChI=1S/C16H29N3O2/c1-2-17-10-11-21-14-16(12-17)6-5-9-19(13-16)15(20)18-7-3-4-8-18/h2-14H2,1H3/t16-/m0/s1
InChIKeyWSAZDTAKHVDRCR-INIZCTEOSA-N
XLogP1.64
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [(6S)-11-ethyl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-pyrrolidin-1-ylmethanone with MolForge

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Related Compounds

(6R)-11-ethyl-N,N-dimethyl-8-oxa-2,11-diazaspiro[5.6]dodecane-2-carboxamide
CID 97372899
(11-ethyl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)-(1-methylpyrrol-2-yl)methanone
CID 134070386
9-ethyl-2-oxa-9-azaspiro[4.5]decane
CID 146386643
8-ethyl-2-oxa-8-azaspiro[5.5]undecane
CID 153357345
2-[(6S)-2-acetyl-8-oxa-2,11-diazaspiro[5.6]dodecan-11-yl]-N-methylacetamide
CID 97397965
pyrrolidin-1-yl-[2-(thiophen-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]methanone
CID 118743387
2-cyclopropylsulfonyl-11-ethyl-8-oxa-2,11-diazaspiro[5.6]dodecane;2,2,2-trifluoroacetic acid
CID 155853538
1-[(6S)-11-pyrimidin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]propan-1-one
CID 97398116
[(6S)-11-pyrazin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-pyrrolidin-1-ylmethanone
CID 97372938
11-ethyl-2-(5-methylpyrimidin-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecane;2,2,2-trifluoroacetic acid
CID 155860436
[(6R)-11-(cyclopropylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-[(2S)-oxolan-2-yl]methanone
CID 97494457
(5R)-7-ethyl-2-oxa-7-azaspiro[4.4]nonane
CID 142524383

Frequently Asked Questions

What is the IUPAC name of [(6S)-11-ethyl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [(6S)-11-ethyl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-pyrrolidin-1-ylmethanone (CID 97372902) is [(6S)-11-ethyl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [(6S)-11-ethyl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [(6S)-11-ethyl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-pyrrolidin-1-ylmethanone is CCN1CCOC[C@@]2(CCCN(C(=O)N3CCCC3)C2)C1.
What is the InChIKey of [(6S)-11-ethyl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is WSAZDTAKHVDRCR-INIZCTEOSA-N. The full InChI is InChI=1S/C16H29N3O2/c1-2-17-10-11-21-14-16(12-17)6-5-9-19(13-16)15(20)18-7-3-4-8-18/h2-14H2,1H3/t16-/m0/s1.
What are the key properties of [(6S)-11-ethyl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-pyrrolidin-1-ylmethanone?
[(6S)-11-ethyl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 295.43 g/mol, XLogP of 1.64, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(6S)-11-ethyl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 97372902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).