4-phenyl-8-(pyrrolidine-1-carbonyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one

C19H25N3O4 — CID 118739369

IUPAC4-phenyl-8-(pyrrolidine-1-carbonyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one
SMILESO=C(N1CCCC1)N1CCOCC2(C1)CN(c1ccccc1)C(=O)CO2
InChIInChI=1S/C19H25N3O4/c23-17-12-26-19(14-22(17)16-6-2-1-3-7-16)13-21(10-11-25-15-19)18(24)20-8-4-5-9-20/h1-3,6-7H,4-5,8-15H2
InChIKeyZXPBVYFVJBIUTI-UHFFFAOYSA-N
MW359.43 g/mol
LogP1.34
Rot. Bonds1

About 4-phenyl-8-(pyrrolidine-1-carbonyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one

4-phenyl-8-(pyrrolidine-1-carbonyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one (PubChem CID 118739369) has the molecular formula C19H25N3O4 and a molecular weight of 359.43 g/mol. Its IUPAC name is 4-phenyl-8-(pyrrolidine-1-carbonyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one.

Molecular Properties

Compound Name4-phenyl-8-(pyrrolidine-1-carbonyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one
PubChem CID118739369
Molecular FormulaC19H25N3O4
Molecular Weight359.43 g/mol
Exact Mass359.18
IUPAC Name4-phenyl-8-(pyrrolidine-1-carbonyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one
SMILESO=C(N1CCCC1)N1CCOCC2(C1)CN(c1ccccc1)C(=O)CO2
InChIInChI=1S/C19H25N3O4/c23-17-12-26-19(14-22(17)16-6-2-1-3-7-16)13-21(10-11-25-15-19)18(24)20-8-4-5-9-20/h1-3,6-7H,4-5,8-15H2
InChIKeyZXPBVYFVJBIUTI-UHFFFAOYSA-N
XLogP1.34
TPSA62.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

8-(1H-imidazole-5-carbonyl)-4-phenyl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one
CID 118743375
(6S)-8-ethylsulfonyl-4-phenyl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one
CID 97374543
8-[3-(azepan-1-yl)propanoyl]-4-phenyl-1-oxa-4,8-diazaspiro[5.5]undecan-3-one
CID 155999557
4-phenyl-8-propanoyl-1-oxa-4,8-diazaspiro[5.5]undecan-3-one
CID 155986157
(6R)-8-(oxan-4-ylmethyl)-4-phenyl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one
CID 97374541
(6S)-4-(4-fluorophenyl)-N,N-dimethyl-3-oxo-1,11-dioxa-4,8-diazaspiro[5.6]dodecane-8-carboxamide
CID 97374585
(6S)-8-[(4-fluorophenyl)methyl]-4-phenyl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one
CID 97374532
(6R)-8-[(4-fluorophenyl)methyl]-4-phenyl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one
CID 97374531
8-(1,3-oxazole-4-carbonyl)-4-phenyl-1-oxa-4,8-diazaspiro[5.5]undecan-3-one
CID 155999520
4-(4-fluorophenyl)-8-(thiophene-2-carbonyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one
CID 131656880
8-[2-(dimethylamino)acetyl]-4-pyridin-3-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one
CID 134077933
(6S)-4-(furan-3-yl)-N,N-dimethyl-3-oxo-1,11-dioxa-4,8-diazaspiro[5.6]dodecane-8-carboxamide
CID 97374677

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-8-(pyrrolidine-1-carbonyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one?
The IUPAC name of 4-phenyl-8-(pyrrolidine-1-carbonyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one (CID 118739369) is 4-phenyl-8-(pyrrolidine-1-carbonyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one.
What is the SMILES notation for 4-phenyl-8-(pyrrolidine-1-carbonyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one?
The canonical SMILES for 4-phenyl-8-(pyrrolidine-1-carbonyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one is O=C(N1CCCC1)N1CCOCC2(C1)CN(c1ccccc1)C(=O)CO2.
What is the InChIKey of 4-phenyl-8-(pyrrolidine-1-carbonyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one?
The InChIKey is ZXPBVYFVJBIUTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O4/c23-17-12-26-19(14-22(17)16-6-2-1-3-7-16)13-21(10-11-25-15-19)18(24)20-8-4-5-9-20/h1-3,6-7H,4-5,8-15H2.
What are the key properties of 4-phenyl-8-(pyrrolidine-1-carbonyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one?
4-phenyl-8-(pyrrolidine-1-carbonyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one has a molecular weight of 359.43 g/mol, XLogP of 1.34, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-8-(pyrrolidine-1-carbonyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one is sourced from PubChem (CID 118739369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).