(5R)-3-methyl-N-[2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethyl]-2-oxo-1-oxa-3,9-diazaspiro[4.6]undecane-9-carboxamide

C20H29N5O3 — CID 126432202

IUPAC(5R)-3-methyl-N-[2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethyl]-2-oxo-1-oxa-3,9-diazaspiro[4.6]undecane-9-carboxamide
SMILESCc1nc(CCNC(=O)N2CCC[C@@]3(CC2)CN(C)C(=O)O3)nc2c1CCC2
InChIInChI=1S/C20H29N5O3/c1-14-15-5-3-6-16(15)23-17(22-14)7-10-21-18(26)25-11-4-8-20(9-12-25)13-24(2)19(27)28-20/h3-13H2,1-2H3,(H,21,26)/t20-/m1/s1
InChIKeyBFICJYKZGTXXBO-HXUWFJFHSA-N
MW387.48 g/mol
LogP1.83
Rot. Bonds3

About (5R)-3-methyl-N-[2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethyl]-2-oxo-1-oxa-3,9-diazaspiro[4.6]undecane-9-carboxamide

(5R)-3-methyl-N-[2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethyl]-2-oxo-1-oxa-3,9-diazaspiro[4.6]undecane-9-carboxamide (PubChem CID 126432202) has the molecular formula C20H29N5O3 and a molecular weight of 387.48 g/mol. Its IUPAC name is (5R)-3-methyl-N-[2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethyl]-2-oxo-1-oxa-3,9-diazaspiro[4.6]undecane-9-carboxamide.

Molecular Properties

Compound Name(5R)-3-methyl-N-[2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethyl]-2-oxo-1-oxa-3,9-diazaspiro[4.6]undecane-9-carboxamide
PubChem CID126432202
Molecular FormulaC20H29N5O3
Molecular Weight387.48 g/mol
Exact Mass387.23
IUPAC Name(5R)-3-methyl-N-[2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethyl]-2-oxo-1-oxa-3,9-diazaspiro[4.6]undecane-9-carboxamide
SMILESCc1nc(CCNC(=O)N2CCC[C@@]3(CC2)CN(C)C(=O)O3)nc2c1CCC2
InChIInChI=1S/C20H29N5O3/c1-14-15-5-3-6-16(15)23-17(22-14)7-10-21-18(26)25-11-4-8-20(9-12-25)13-24(2)19(27)28-20/h3-13H2,1-2H3,(H,21,26)/t20-/m1/s1
InChIKeyBFICJYKZGTXXBO-HXUWFJFHSA-N
XLogP1.83
TPSA87.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.48
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (5R)-3-methyl-N-[2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethyl]-2-oxo-1-oxa-3,9-diazaspiro[4.6]undecane-9-carboxamide with MolForge

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Related Compounds

3-methyl-2-oxo-N-(2-thiophen-2-ylethyl)-1-oxa-3,9-diazaspiro[4.6]undecane-9-carboxamide
CID 119071596
(5R)-3-methyl-2-oxo-N-(2-phenoxyethyl)-1-oxa-3,9-diazaspiro[4.6]undecane-9-carboxamide
CID 126424841
(2R)-N-[2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethyl]-2-phenylmorpholine-4-carboxamide
CID 126430853
3-methyl-9-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
CID 56897333
(5S)-3-methyl-9-(4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl)-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
CID 95724435
(5S)-3-methyl-2-oxo-N-phenyl-1-oxa-3,9-diazaspiro[4.6]undecane-9-carboxamide
CID 95713099
3-methyl-9-(5-methyl-1H-pyrazole-3-carbonyl)-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
CID 56907295
(5S)-3-methyl-2-oxo-N-[(2,4,6-trimethylphenyl)methyl]-1-oxa-3,9-diazaspiro[4.5]decane-9-carboxamide
CID 126453746
(5R)-3-methyl-N-[(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)methyl]-2-oxo-1-oxa-3,9-diazaspiro[4.5]decane-9-carboxamide
CID 126445281
(5S)-3-methyl-N-[(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)methyl]-2-oxo-1-oxa-3,9-diazaspiro[4.5]decane-9-carboxamide
CID 126445282
(5R)-3-methyl-2-oxo-N-[2-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)ethyl]-1-oxa-3,9-diazaspiro[4.5]decane-9-carboxamide
CID 126427748
8-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)acetyl]-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70704956

Frequently Asked Questions

What is the IUPAC name of (5R)-3-methyl-N-[2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethyl]-2-oxo-1-oxa-3,9-diazaspiro[4.6]undecane-9-carboxamide?
The IUPAC name of (5R)-3-methyl-N-[2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethyl]-2-oxo-1-oxa-3,9-diazaspiro[4.6]undecane-9-carboxamide (CID 126432202) is (5R)-3-methyl-N-[2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethyl]-2-oxo-1-oxa-3,9-diazaspiro[4.6]undecane-9-carboxamide.
What is the SMILES notation for (5R)-3-methyl-N-[2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethyl]-2-oxo-1-oxa-3,9-diazaspiro[4.6]undecane-9-carboxamide?
The canonical SMILES for (5R)-3-methyl-N-[2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethyl]-2-oxo-1-oxa-3,9-diazaspiro[4.6]undecane-9-carboxamide is Cc1nc(CCNC(=O)N2CCC[C@@]3(CC2)CN(C)C(=O)O3)nc2c1CCC2.
What is the InChIKey of (5R)-3-methyl-N-[2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethyl]-2-oxo-1-oxa-3,9-diazaspiro[4.6]undecane-9-carboxamide?
The InChIKey is BFICJYKZGTXXBO-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H29N5O3/c1-14-15-5-3-6-16(15)23-17(22-14)7-10-21-18(26)25-11-4-8-20(9-12-25)13-24(2)19(27)28-20/h3-13H2,1-2H3,(H,21,26)/t20-/m1/s1.
What are the key properties of (5R)-3-methyl-N-[2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethyl]-2-oxo-1-oxa-3,9-diazaspiro[4.6]undecane-9-carboxamide?
(5R)-3-methyl-N-[2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethyl]-2-oxo-1-oxa-3,9-diazaspiro[4.6]undecane-9-carboxamide has a molecular weight of 387.48 g/mol, XLogP of 1.83, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-methyl-N-[2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethyl]-2-oxo-1-oxa-3,9-diazaspiro[4.6]undecane-9-carboxamide is sourced from PubChem (CID 126432202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).