8-(1-methylpiperidine-4-carbonyl)-4-oxo-N-propan-2-yl-1,3,8-triazaspiro[4.5]decane-1-carboxamide

C18H31N5O3 — CID 171922052

IUPAC8-(1-methylpiperidine-4-carbonyl)-4-oxo-N-propan-2-yl-1,3,8-triazaspiro[4.5]decane-1-carboxamide
SMILESCC(C)NC(=O)N1CNC(=O)C12CCN(C(=O)C1CCN(C)CC1)CC2
InChIInChI=1S/C18H31N5O3/c1-13(2)20-17(26)23-12-19-16(25)18(23)6-10-22(11-7-18)15(24)14-4-8-21(3)9-5-14/h13-14H,4-12H2,1-3H3,(H,19,25)(H,20,26)
InChIKeyDJOIBJFYWUFFBW-UHFFFAOYSA-N
MW365.48 g/mol
LogP0.20
Rot. Bonds2

About 8-(1-methylpiperidine-4-carbonyl)-4-oxo-N-propan-2-yl-1,3,8-triazaspiro[4.5]decane-1-carboxamide

8-(1-methylpiperidine-4-carbonyl)-4-oxo-N-propan-2-yl-1,3,8-triazaspiro[4.5]decane-1-carboxamide (PubChem CID 171922052) has the molecular formula C18H31N5O3 and a molecular weight of 365.48 g/mol. Its IUPAC name is 8-(1-methylpiperidine-4-carbonyl)-4-oxo-N-propan-2-yl-1,3,8-triazaspiro[4.5]decane-1-carboxamide.

Molecular Properties

Compound Name8-(1-methylpiperidine-4-carbonyl)-4-oxo-N-propan-2-yl-1,3,8-triazaspiro[4.5]decane-1-carboxamide
PubChem CID171922052
Molecular FormulaC18H31N5O3
Molecular Weight365.48 g/mol
Exact Mass365.24
IUPAC Name8-(1-methylpiperidine-4-carbonyl)-4-oxo-N-propan-2-yl-1,3,8-triazaspiro[4.5]decane-1-carboxamide
SMILESCC(C)NC(=O)N1CNC(=O)C12CCN(C(=O)C1CCN(C)CC1)CC2
InChIInChI=1S/C18H31N5O3/c1-13(2)20-17(26)23-12-19-16(25)18(23)6-10-22(11-7-18)15(24)14-4-8-21(3)9-5-14/h13-14H,4-12H2,1-3H3,(H,19,25)(H,20,26)
InChIKeyDJOIBJFYWUFFBW-UHFFFAOYSA-N
XLogP0.20
TPSA84.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-(1-methylpiperidine-4-carbonyl)-4-oxo-N-propan-2-yl-1,3,8-triazaspiro[4.5]decane-1-carboxamide?
The IUPAC name of 8-(1-methylpiperidine-4-carbonyl)-4-oxo-N-propan-2-yl-1,3,8-triazaspiro[4.5]decane-1-carboxamide (CID 171922052) is 8-(1-methylpiperidine-4-carbonyl)-4-oxo-N-propan-2-yl-1,3,8-triazaspiro[4.5]decane-1-carboxamide.
What is the SMILES notation for 8-(1-methylpiperidine-4-carbonyl)-4-oxo-N-propan-2-yl-1,3,8-triazaspiro[4.5]decane-1-carboxamide?
The canonical SMILES for 8-(1-methylpiperidine-4-carbonyl)-4-oxo-N-propan-2-yl-1,3,8-triazaspiro[4.5]decane-1-carboxamide is CC(C)NC(=O)N1CNC(=O)C12CCN(C(=O)C1CCN(C)CC1)CC2.
What is the InChIKey of 8-(1-methylpiperidine-4-carbonyl)-4-oxo-N-propan-2-yl-1,3,8-triazaspiro[4.5]decane-1-carboxamide?
The InChIKey is DJOIBJFYWUFFBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N5O3/c1-13(2)20-17(26)23-12-19-16(25)18(23)6-10-22(11-7-18)15(24)14-4-8-21(3)9-5-14/h13-14H,4-12H2,1-3H3,(H,19,25)(H,20,26).
What are the key properties of 8-(1-methylpiperidine-4-carbonyl)-4-oxo-N-propan-2-yl-1,3,8-triazaspiro[4.5]decane-1-carboxamide?
8-(1-methylpiperidine-4-carbonyl)-4-oxo-N-propan-2-yl-1,3,8-triazaspiro[4.5]decane-1-carboxamide has a molecular weight of 365.48 g/mol, XLogP of 0.20, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(1-methylpiperidine-4-carbonyl)-4-oxo-N-propan-2-yl-1,3,8-triazaspiro[4.5]decane-1-carboxamide is sourced from PubChem (CID 171922052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).