(5S)-7-(furan-3-ylmethyl)-3-oxo-N-propan-2-yl-2,7,10-triazaspiro[4.6]undecane-10-carboxamide

C17H26N4O3 — CID 97360020

IUPAC(5S)-7-(furan-3-ylmethyl)-3-oxo-N-propan-2-yl-2,7,10-triazaspiro[4.6]undecane-10-carboxamide
SMILESCC(C)NC(=O)N1CCN(Cc2ccoc2)C[C@]2(CNC(=O)C2)C1
InChIInChI=1S/C17H26N4O3/c1-13(2)19-16(23)21-5-4-20(8-14-3-6-24-9-14)11-17(12-21)7-15(22)18-10-17/h3,6,9,13H,4-5,7-8,10-12H2,1-2H3,(H,18,22)(H,19,23)/t17-/m0/s1
InChIKeyFBWSMPJJELVLMO-KRWDZBQOSA-N
MW334.42 g/mol
LogP1.02
Rot. Bonds3

About (5S)-7-(furan-3-ylmethyl)-3-oxo-N-propan-2-yl-2,7,10-triazaspiro[4.6]undecane-10-carboxamide

(5S)-7-(furan-3-ylmethyl)-3-oxo-N-propan-2-yl-2,7,10-triazaspiro[4.6]undecane-10-carboxamide (PubChem CID 97360020) has the molecular formula C17H26N4O3 and a molecular weight of 334.42 g/mol. Its IUPAC name is (5S)-7-(furan-3-ylmethyl)-3-oxo-N-propan-2-yl-2,7,10-triazaspiro[4.6]undecane-10-carboxamide.

Molecular Properties

Compound Name(5S)-7-(furan-3-ylmethyl)-3-oxo-N-propan-2-yl-2,7,10-triazaspiro[4.6]undecane-10-carboxamide
PubChem CID97360020
Molecular FormulaC17H26N4O3
Molecular Weight334.42 g/mol
Exact Mass334.20
IUPAC Name(5S)-7-(furan-3-ylmethyl)-3-oxo-N-propan-2-yl-2,7,10-triazaspiro[4.6]undecane-10-carboxamide
SMILESCC(C)NC(=O)N1CCN(Cc2ccoc2)C[C@]2(CNC(=O)C2)C1
InChIInChI=1S/C17H26N4O3/c1-13(2)19-16(23)21-5-4-20(8-14-3-6-24-9-14)11-17(12-21)7-15(22)18-10-17/h3,6,9,13H,4-5,7-8,10-12H2,1-2H3,(H,18,22)(H,19,23)/t17-/m0/s1
InChIKeyFBWSMPJJELVLMO-KRWDZBQOSA-N
XLogP1.02
TPSA77.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (5S)-7-(furan-3-ylmethyl)-3-oxo-N-propan-2-yl-2,7,10-triazaspiro[4.6]undecane-10-carboxamide with MolForge

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Related Compounds

(5S)-3-oxo-N-propan-2-yl-7-(pyridin-3-ylmethyl)-2,7,10-triazaspiro[4.6]undecane-10-carboxamide
CID 97360036
(5S)-3-oxo-N-propan-2-yl-7-(1,3-thiazol-2-ylmethyl)-2,7,10-triazaspiro[4.6]undecane-10-carboxamide
CID 97360026
N-methyl-3-oxo-7-(pyridin-3-ylmethyl)-2,7,10-triazaspiro[4.6]undecane-10-carboxamide
CID 131657857
(5S)-7-(1-methylpyrrole-2-carbonyl)-3-oxo-N-propan-2-yl-2,7,10-triazaspiro[4.6]undecane-10-carboxamide
CID 97360042
(5R)-N-benzyl-7-(2-methylpropanoyl)-3-oxo-2,7,10-triazaspiro[4.6]undecane-10-carboxamide
CID 97438905
2-methyl-7-[(5-methylthiophen-2-yl)methyl]-3-oxo-N-propan-2-yl-2,7,10-triazaspiro[4.6]undecane-10-carboxamide
CID 131647679
N-propan-2-yl-11-(pyridin-4-ylmethyl)-8-oxa-3,11-diazaspiro[5.6]dodecane-3-carboxamide
CID 155899912
N-methyl-3-oxo-2,7-diazaspiro[4.5]decane-7-carboxamide
CID 127368537
2-methyl-3-oxo-N-propan-2-yl-7-(pyridin-2-ylmethyl)-2,7,10-triazaspiro[4.6]undecane-10-carboxamide;bis(2,2,2-trifluoroacetic acid)
CID 118746301
[7-(furan-3-ylmethyl)-2,7-diazaspiro[3.4]octan-2-yl]-(2-methylfuran-3-yl)methanone
CID 97392927
2-[4-(furan-3-ylmethyl)piperazin-1-yl]propanoic acid
CID 65062356
(5S)-N-methyl-3-oxo-7-(pyridine-2-carbonyl)-2,7,10-triazaspiro[4.6]undecane-10-carboxamide
CID 97398896

Frequently Asked Questions

What is the IUPAC name of (5S)-7-(furan-3-ylmethyl)-3-oxo-N-propan-2-yl-2,7,10-triazaspiro[4.6]undecane-10-carboxamide?
The IUPAC name of (5S)-7-(furan-3-ylmethyl)-3-oxo-N-propan-2-yl-2,7,10-triazaspiro[4.6]undecane-10-carboxamide (CID 97360020) is (5S)-7-(furan-3-ylmethyl)-3-oxo-N-propan-2-yl-2,7,10-triazaspiro[4.6]undecane-10-carboxamide.
What is the SMILES notation for (5S)-7-(furan-3-ylmethyl)-3-oxo-N-propan-2-yl-2,7,10-triazaspiro[4.6]undecane-10-carboxamide?
The canonical SMILES for (5S)-7-(furan-3-ylmethyl)-3-oxo-N-propan-2-yl-2,7,10-triazaspiro[4.6]undecane-10-carboxamide is CC(C)NC(=O)N1CCN(Cc2ccoc2)C[C@]2(CNC(=O)C2)C1.
What is the InChIKey of (5S)-7-(furan-3-ylmethyl)-3-oxo-N-propan-2-yl-2,7,10-triazaspiro[4.6]undecane-10-carboxamide?
The InChIKey is FBWSMPJJELVLMO-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H26N4O3/c1-13(2)19-16(23)21-5-4-20(8-14-3-6-24-9-14)11-17(12-21)7-15(22)18-10-17/h3,6,9,13H,4-5,7-8,10-12H2,1-2H3,(H,18,22)(H,19,23)/t17-/m0/s1.
What are the key properties of (5S)-7-(furan-3-ylmethyl)-3-oxo-N-propan-2-yl-2,7,10-triazaspiro[4.6]undecane-10-carboxamide?
(5S)-7-(furan-3-ylmethyl)-3-oxo-N-propan-2-yl-2,7,10-triazaspiro[4.6]undecane-10-carboxamide has a molecular weight of 334.42 g/mol, XLogP of 1.02, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-7-(furan-3-ylmethyl)-3-oxo-N-propan-2-yl-2,7,10-triazaspiro[4.6]undecane-10-carboxamide is sourced from PubChem (CID 97360020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).