[(7R)-8-methyl-2-(pyridin-4-ylmethyl)-5-oxa-2,8-diazaspiro[3.5]nonan-7-yl]-pyrrolidin-1-ylmethanone

C18H26N4O2 — CID 124815106

IUPAC[(7R)-8-methyl-2-(pyridin-4-ylmethyl)-5-oxa-2,8-diazaspiro[3.5]nonan-7-yl]-pyrrolidin-1-ylmethanone
SMILESCN1CC2(CN(Cc3ccncc3)C2)OC[C@@H]1C(=O)N1CCCC1
InChIInChI=1S/C18H26N4O2/c1-20-12-18(13-21(14-18)10-15-4-6-19-7-5-15)24-11-16(20)17(23)22-8-2-3-9-22/h4-7,16H,2-3,8-14H2,1H3/t16-/m1/s1
InChIKeyZFTLXYHHUZTPMC-MRXNPFEDSA-N
MW330.43 g/mol
LogP0.59
Rot. Bonds3

About [(7R)-8-methyl-2-(pyridin-4-ylmethyl)-5-oxa-2,8-diazaspiro[3.5]nonan-7-yl]-pyrrolidin-1-ylmethanone

[(7R)-8-methyl-2-(pyridin-4-ylmethyl)-5-oxa-2,8-diazaspiro[3.5]nonan-7-yl]-pyrrolidin-1-ylmethanone (PubChem CID 124815106) has the molecular formula C18H26N4O2 and a molecular weight of 330.43 g/mol. Its IUPAC name is [(7R)-8-methyl-2-(pyridin-4-ylmethyl)-5-oxa-2,8-diazaspiro[3.5]nonan-7-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[(7R)-8-methyl-2-(pyridin-4-ylmethyl)-5-oxa-2,8-diazaspiro[3.5]nonan-7-yl]-pyrrolidin-1-ylmethanone
PubChem CID124815106
Molecular FormulaC18H26N4O2
Molecular Weight330.43 g/mol
Exact Mass330.21
IUPAC Name[(7R)-8-methyl-2-(pyridin-4-ylmethyl)-5-oxa-2,8-diazaspiro[3.5]nonan-7-yl]-pyrrolidin-1-ylmethanone
SMILESCN1CC2(CN(Cc3ccncc3)C2)OC[C@@H]1C(=O)N1CCCC1
InChIInChI=1S/C18H26N4O2/c1-20-12-18(13-21(14-18)10-15-4-6-19-7-5-15)24-11-16(20)17(23)22-8-2-3-9-22/h4-7,16H,2-3,8-14H2,1H3/t16-/m1/s1
InChIKeyZFTLXYHHUZTPMC-MRXNPFEDSA-N
XLogP0.59
TPSA48.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 50.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [(7R)-8-methyl-2-(pyridin-4-ylmethyl)-5-oxa-2,8-diazaspiro[3.5]nonan-7-yl]-pyrrolidin-1-ylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

cyclohexyl-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone
CID 78798588
(3S,5S)-1-(pyridin-4-ylmethyl)-5-(pyrrolidine-1-carbonyl)piperidine-3-carboxylic acid
CID 56876327
N-[[(5R,7R)-2-(pyridin-4-ylmethyl)-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]pyrrolidine-1-carboxamide
CID 97476450
1-[(6S)-4-(pyridin-4-ylmethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-8-yl]ethanone
CID 97373177
[4-(pyridin-4-ylmethyl)piperazin-1-yl]-[1-(pyrrolidine-1-carbonyl)piperidin-3-yl]methanone
CID 47030918
N,8-dimethyl-2-[(4-methylsulfonylphenyl)methyl]-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide;2,2,2-trifluoroacetic acid
CID 171693377
[8-methyl-2-(1,3-thiazol-2-ylmethyl)-5-oxa-2,8-diazaspiro[3.5]nonan-7-yl]-(oxazinan-2-yl)methanone;bis(2,2,2-trifluoroacetic acid)
CID 155832141
azocan-1-yl-[1-[1-(pyridin-4-ylmethyl)piperidin-4-yl]piperidin-3-yl]methanone
CID 70776604
azonan-1-yl-[(3S)-1-[1-(pyridin-4-ylmethyl)piperidin-4-yl]piperidin-3-yl]methanone
CID 96579465
1-(2-methoxyethyl)-4-[4-(pyridin-4-ylmethyl)-1,4-diazepane-1-carbonyl]pyrrolidin-2-one
CID 50980050
[(7R)-8-(cyclopropylmethyl)-2-(pyridin-3-ylmethyl)-5-oxa-2,8-diazaspiro[3.5]nonan-7-yl]-(1,2-oxazolidin-2-yl)methanone
CID 124791278
(2-hydroxycyclopentyl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone
CID 110013764

Frequently Asked Questions

What is the IUPAC name of [(7R)-8-methyl-2-(pyridin-4-ylmethyl)-5-oxa-2,8-diazaspiro[3.5]nonan-7-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [(7R)-8-methyl-2-(pyridin-4-ylmethyl)-5-oxa-2,8-diazaspiro[3.5]nonan-7-yl]-pyrrolidin-1-ylmethanone (CID 124815106) is [(7R)-8-methyl-2-(pyridin-4-ylmethyl)-5-oxa-2,8-diazaspiro[3.5]nonan-7-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [(7R)-8-methyl-2-(pyridin-4-ylmethyl)-5-oxa-2,8-diazaspiro[3.5]nonan-7-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [(7R)-8-methyl-2-(pyridin-4-ylmethyl)-5-oxa-2,8-diazaspiro[3.5]nonan-7-yl]-pyrrolidin-1-ylmethanone is CN1CC2(CN(Cc3ccncc3)C2)OC[C@@H]1C(=O)N1CCCC1.
What is the InChIKey of [(7R)-8-methyl-2-(pyridin-4-ylmethyl)-5-oxa-2,8-diazaspiro[3.5]nonan-7-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is ZFTLXYHHUZTPMC-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H26N4O2/c1-20-12-18(13-21(14-18)10-15-4-6-19-7-5-15)24-11-16(20)17(23)22-8-2-3-9-22/h4-7,16H,2-3,8-14H2,1H3/t16-/m1/s1.
What are the key properties of [(7R)-8-methyl-2-(pyridin-4-ylmethyl)-5-oxa-2,8-diazaspiro[3.5]nonan-7-yl]-pyrrolidin-1-ylmethanone?
[(7R)-8-methyl-2-(pyridin-4-ylmethyl)-5-oxa-2,8-diazaspiro[3.5]nonan-7-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 330.43 g/mol, XLogP of 0.59, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(7R)-8-methyl-2-(pyridin-4-ylmethyl)-5-oxa-2,8-diazaspiro[3.5]nonan-7-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 124815106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).