(6S)-4-(2-cyclopentylacetyl)-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one

C17H29N3O2 — CID 97132445

IUPAC(6S)-4-(2-cyclopentylacetyl)-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one
SMILESCN1CCN(C(=O)CC2CCCC2)C[C@]12CCNC(=O)CC2
InChIInChI=1S/C17H29N3O2/c1-19-10-11-20(16(22)12-14-4-2-3-5-14)13-17(19)7-6-15(21)18-9-8-17/h14H,2-13H2,1H3,(H,18,21)/t17-/m0/s1
InChIKeyGRVCCOOPGBTWAX-KRWDZBQOSA-N
MW307.44 g/mol
LogP1.38
Rot. Bonds2

About (6S)-4-(2-cyclopentylacetyl)-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one

(6S)-4-(2-cyclopentylacetyl)-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one (PubChem CID 97132445) has the molecular formula C17H29N3O2 and a molecular weight of 307.44 g/mol. Its IUPAC name is (6S)-4-(2-cyclopentylacetyl)-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one.

Molecular Properties

Compound Name(6S)-4-(2-cyclopentylacetyl)-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one
PubChem CID97132445
Molecular FormulaC17H29N3O2
Molecular Weight307.44 g/mol
Exact Mass307.23
IUPAC Name(6S)-4-(2-cyclopentylacetyl)-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one
SMILESCN1CCN(C(=O)CC2CCCC2)C[C@]12CCNC(=O)CC2
InChIInChI=1S/C17H29N3O2/c1-19-10-11-20(16(22)12-14-4-2-3-5-14)13-17(19)7-6-15(21)18-9-8-17/h14H,2-13H2,1H3,(H,18,21)/t17-/m0/s1
InChIKeyGRVCCOOPGBTWAX-KRWDZBQOSA-N
XLogP1.38
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(6R)-1-methyl-4-(2-methylsulfanylacetyl)-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 97152352
N-cyclopentyl-1-methyl-9-oxo-1,4,10-triazaspiro[5.6]dodecane-4-carboxamide
CID 72870632
(6S)-1-methyl-4-(pyrrolidine-1-carbonyl)-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 97197677
1-methyl-4-[4-(2-oxopyrrolidin-1-yl)butanoyl]-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 72879992
1-methyl-4-(pyridine-4-carbonyl)-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 72924847
1-methyl-4-(3-pyridin-2-ylpropanoyl)-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 72923202
(6S)-1-methyl-4-[3-(6-oxo-1H-pyridazin-3-yl)propanoyl]-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 97133610
1-methyl-4-[2-[(2-methylphenyl)methylsulfanyl]acetyl]-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 72888404
1-methyl-4-[2-(2-methyl-1H-indol-3-yl)acetyl]-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 72930165
(6S)-4-(1,6-dimethyl-2-oxopyridine-3-carbonyl)-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 97153801
4-[[2-(cyclopentylmethyl)-1H-imidazol-5-yl]methyl]-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 72883515
(6S)-4-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 97286170

Frequently Asked Questions

What is the IUPAC name of (6S)-4-(2-cyclopentylacetyl)-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one?
The IUPAC name of (6S)-4-(2-cyclopentylacetyl)-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one (CID 97132445) is (6S)-4-(2-cyclopentylacetyl)-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one.
What is the SMILES notation for (6S)-4-(2-cyclopentylacetyl)-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one?
The canonical SMILES for (6S)-4-(2-cyclopentylacetyl)-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one is CN1CCN(C(=O)CC2CCCC2)C[C@]12CCNC(=O)CC2.
What is the InChIKey of (6S)-4-(2-cyclopentylacetyl)-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one?
The InChIKey is GRVCCOOPGBTWAX-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H29N3O2/c1-19-10-11-20(16(22)12-14-4-2-3-5-14)13-17(19)7-6-15(21)18-9-8-17/h14H,2-13H2,1H3,(H,18,21)/t17-/m0/s1.
What are the key properties of (6S)-4-(2-cyclopentylacetyl)-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one?
(6S)-4-(2-cyclopentylacetyl)-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one has a molecular weight of 307.44 g/mol, XLogP of 1.38, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-4-(2-cyclopentylacetyl)-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one is sourced from PubChem (CID 97132445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).