3-methyl-8-[(2R)-2-pyridin-3-yl-2-pyrrolidin-1-ylacetyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one

C19H26N4O3 — CID 97279939

IUPAC3-methyl-8-[(2R)-2-pyridin-3-yl-2-pyrrolidin-1-ylacetyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCN1CC2(CCN(C(=O)[C@@H](c3cccnc3)N3CCCC3)CC2)OC1=O
InChIInChI=1S/C19H26N4O3/c1-21-14-19(26-18(21)25)6-11-23(12-7-19)17(24)16(22-9-2-3-10-22)15-5-4-8-20-13-15/h4-5,8,13,16H,2-3,6-7,9-12,14H2,1H3/t16-/m1/s1
InChIKeyGQRXZRQABXIKMF-MRXNPFEDSA-N
MW358.44 g/mol
LogP1.66
Rot. Bonds3

About 3-methyl-8-[(2R)-2-pyridin-3-yl-2-pyrrolidin-1-ylacetyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one

3-methyl-8-[(2R)-2-pyridin-3-yl-2-pyrrolidin-1-ylacetyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one (PubChem CID 97279939) has the molecular formula C19H26N4O3 and a molecular weight of 358.44 g/mol. Its IUPAC name is 3-methyl-8-[(2R)-2-pyridin-3-yl-2-pyrrolidin-1-ylacetyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name3-methyl-8-[(2R)-2-pyridin-3-yl-2-pyrrolidin-1-ylacetyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
PubChem CID97279939
Molecular FormulaC19H26N4O3
Molecular Weight358.44 g/mol
Exact Mass358.20
IUPAC Name3-methyl-8-[(2R)-2-pyridin-3-yl-2-pyrrolidin-1-ylacetyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCN1CC2(CCN(C(=O)[C@@H](c3cccnc3)N3CCCC3)CC2)OC1=O
InChIInChI=1S/C19H26N4O3/c1-21-14-19(26-18(21)25)6-11-23(12-7-19)17(24)16(22-9-2-3-10-22)15-5-4-8-20-13-15/h4-5,8,13,16H,2-3,6-7,9-12,14H2,1H3/t16-/m1/s1
InChIKeyGQRXZRQABXIKMF-MRXNPFEDSA-N
XLogP1.66
TPSA65.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Launch Full Analysis

Related Compounds

(2R)-2-pyridin-3-yl-1-[4-(1H-pyrrole-2-carbonyl)piperazin-1-yl]-2-pyrrolidin-1-ylethanone
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CID 97203647
(2R)-2-morpholin-4-yl-1-(1,4-oxazepan-4-yl)-2-pyridin-3-ylethanone
CID 97203648
1-piperidin-1-yl-1-pyridin-3-ylpropan-2-one
CID 116860071
(5S)-3-methyl-7-(2-pyridin-3-ylpyrimidine-5-carbonyl)-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
CID 95719362
1-(2-aminospiro[5,6-dihydropyrano[3,4-d]pyrimidine-8,4'-piperidine]-1'-yl)-2-pyridin-3-yl-2-pyrrolidin-1-ylethanone
CID 176501629
1-(2-methylphenyl)-4-(2-pyridin-3-yl-2-pyrrolidin-1-ylacetyl)piperazin-2-one
CID 70761405
3-[1-[(2R)-2-morpholin-4-yl-2-pyridin-3-ylacetyl]piperidin-4-yl]-1,3-oxazolidin-2-one
CID 97276057
2-morpholin-4-yl-2-pyridin-3-yl-1-thiomorpholin-4-ylethanone
CID 74230397
1-[3-(4-methylphenoxy)azetidin-1-yl]-2-pyridin-3-yl-2-pyrrolidin-1-ylethanone
CID 118767818
3-methyl-2-oxo-N-[(2S)-2-phenylpropyl]-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxamide
CID 126434188
(2S)-1-[4-[(3-hydroxyphenyl)methyl]piperazin-1-yl]-2-pyridin-3-yl-2-pyrrolidin-1-ylethanone
CID 97277932

Frequently Asked Questions

What is the IUPAC name of 3-methyl-8-[(2R)-2-pyridin-3-yl-2-pyrrolidin-1-ylacetyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 3-methyl-8-[(2R)-2-pyridin-3-yl-2-pyrrolidin-1-ylacetyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one (CID 97279939) is 3-methyl-8-[(2R)-2-pyridin-3-yl-2-pyrrolidin-1-ylacetyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 3-methyl-8-[(2R)-2-pyridin-3-yl-2-pyrrolidin-1-ylacetyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 3-methyl-8-[(2R)-2-pyridin-3-yl-2-pyrrolidin-1-ylacetyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one is CN1CC2(CCN(C(=O)[C@@H](c3cccnc3)N3CCCC3)CC2)OC1=O.
What is the InChIKey of 3-methyl-8-[(2R)-2-pyridin-3-yl-2-pyrrolidin-1-ylacetyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The InChIKey is GQRXZRQABXIKMF-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H26N4O3/c1-21-14-19(26-18(21)25)6-11-23(12-7-19)17(24)16(22-9-2-3-10-22)15-5-4-8-20-13-15/h4-5,8,13,16H,2-3,6-7,9-12,14H2,1H3/t16-/m1/s1.
What are the key properties of 3-methyl-8-[(2R)-2-pyridin-3-yl-2-pyrrolidin-1-ylacetyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
3-methyl-8-[(2R)-2-pyridin-3-yl-2-pyrrolidin-1-ylacetyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one has a molecular weight of 358.44 g/mol, XLogP of 1.66, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-8-[(2R)-2-pyridin-3-yl-2-pyrrolidin-1-ylacetyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 97279939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).