11-(3-cyanophenyl)-N-propan-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecane-2-carboxamide

C20H28N4O2 — CID 131656391

IUPAC11-(3-cyanophenyl)-N-propan-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecane-2-carboxamide
SMILESCC(C)NC(=O)N1CCCC2(COCCN(c3cccc(C#N)c3)C2)C1
InChIInChI=1S/C20H28N4O2/c1-16(2)22-19(25)24-8-4-7-20(14-24)13-23(9-10-26-15-20)18-6-3-5-17(11-18)12-21/h3,5-6,11,16H,4,7-10,13-15H2,1-2H3,(H,22,25)
InChIKeyVWKFNVMBATUAIP-UHFFFAOYSA-N
MW356.47 g/mol
LogP2.60
Rot. Bonds2

About 11-(3-cyanophenyl)-N-propan-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecane-2-carboxamide

11-(3-cyanophenyl)-N-propan-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecane-2-carboxamide (PubChem CID 131656391) has the molecular formula C20H28N4O2 and a molecular weight of 356.47 g/mol. Its IUPAC name is 11-(3-cyanophenyl)-N-propan-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecane-2-carboxamide.

Molecular Properties

Compound Name11-(3-cyanophenyl)-N-propan-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecane-2-carboxamide
PubChem CID131656391
Molecular FormulaC20H28N4O2
Molecular Weight356.47 g/mol
Exact Mass356.22
IUPAC Name11-(3-cyanophenyl)-N-propan-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecane-2-carboxamide
SMILESCC(C)NC(=O)N1CCCC2(COCCN(c3cccc(C#N)c3)C2)C1
InChIInChI=1S/C20H28N4O2/c1-16(2)22-19(25)24-8-4-7-20(14-24)13-23(9-10-26-15-20)18-6-3-5-17(11-18)12-21/h3,5-6,11,16H,4,7-10,13-15H2,1-2H3,(H,22,25)
InChIKeyVWKFNVMBATUAIP-UHFFFAOYSA-N
XLogP2.60
TPSA68.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 11-(3-cyanophenyl)-N-propan-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecane-2-carboxamide with MolForge

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Related Compounds

3-[2-(6-methylpyridine-3-carbonyl)-8-oxa-2,11-diazaspiro[5.6]dodecan-11-yl]benzonitrile
CID 155874159
3-[2-(2-hydroxyethyl)-8-oxa-2,11-diazaspiro[5.6]dodecan-11-yl]benzonitrile
CID 134072933
11-(3-fluoro-2-pyridinyl)-N-propan-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecane-2-carboxamide
CID 134070416
(6S)-N-propan-2-yl-11-(1,3-thiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecane-2-carboxamide
CID 97494895
3-[2-[(1-methylimidazol-2-yl)methyl]-8-oxa-2,11-diazaspiro[5.6]dodecan-11-yl]benzonitrile;2,2,2-trifluoroacetic acid
CID 155838829
8-(3-cyanophenyl)-N,N-dimethyl-1-oxa-4,8-diazaspiro[5.5]undecane-4-carboxamide
CID 131650245
(6R)-8-(3-fluorophenyl)-N-propan-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane-4-carboxamide
CID 97491976
N-butan-2-yl-4-(3-cyanophenyl)piperazine-1-carboxamide
CID 113104404
3-[(5R)-2-methyl-7-oxa-2,10-diazaspiro[4.6]undecane-10-carbonyl]benzonitrile
CID 97471967
6-[(6R)-2-[2-(dimethylamino)acetyl]-8-oxa-2,11-diazaspiro[5.6]dodecan-11-yl]pyridine-2-carbonitrile
CID 97494759
[11-(3-fluorophenyl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-(5-methylpyrazolidin-3-yl)methanone
CID 134070402
[(2R)-oxolan-2-yl]-[(6S)-11-phenyl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]methanone
CID 97494631

Frequently Asked Questions

What is the IUPAC name of 11-(3-cyanophenyl)-N-propan-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecane-2-carboxamide?
The IUPAC name of 11-(3-cyanophenyl)-N-propan-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecane-2-carboxamide (CID 131656391) is 11-(3-cyanophenyl)-N-propan-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecane-2-carboxamide.
What is the SMILES notation for 11-(3-cyanophenyl)-N-propan-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecane-2-carboxamide?
The canonical SMILES for 11-(3-cyanophenyl)-N-propan-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecane-2-carboxamide is CC(C)NC(=O)N1CCCC2(COCCN(c3cccc(C#N)c3)C2)C1.
What is the InChIKey of 11-(3-cyanophenyl)-N-propan-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecane-2-carboxamide?
The InChIKey is VWKFNVMBATUAIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O2/c1-16(2)22-19(25)24-8-4-7-20(14-24)13-23(9-10-26-15-20)18-6-3-5-17(11-18)12-21/h3,5-6,11,16H,4,7-10,13-15H2,1-2H3,(H,22,25).
What are the key properties of 11-(3-cyanophenyl)-N-propan-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecane-2-carboxamide?
11-(3-cyanophenyl)-N-propan-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecane-2-carboxamide has a molecular weight of 356.47 g/mol, XLogP of 2.60, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(3-cyanophenyl)-N-propan-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecane-2-carboxamide is sourced from PubChem (CID 131656391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).