N-(1-azaspiro[5.5]undecan-4-yl)-3-(triazol-1-yl)propanamide

C15H25N5O — CID 43595639

IUPACN-(1-azaspiro[5.5]undecan-4-yl)-3-(triazol-1-yl)propanamide
SMILESO=C(CCn1ccnn1)NC1CCNC2(CCCCC2)C1
InChIInChI=1S/C15H25N5O/c21-14(5-10-20-11-9-17-19-20)18-13-4-8-16-15(12-13)6-2-1-3-7-15/h9,11,13,16H,1-8,10,12H2,(H,18,21)
InChIKeyXLAJCBKQBBUUFS-UHFFFAOYSA-N
MW291.40 g/mol
LogP1.24
Rot. Bonds4

About N-(1-azaspiro[5.5]undecan-4-yl)-3-(triazol-1-yl)propanamide

N-(1-azaspiro[5.5]undecan-4-yl)-3-(triazol-1-yl)propanamide (PubChem CID 43595639) has the molecular formula C15H25N5O and a molecular weight of 291.40 g/mol. Its IUPAC name is N-(1-azaspiro[5.5]undecan-4-yl)-3-(triazol-1-yl)propanamide.

Molecular Properties

Compound NameN-(1-azaspiro[5.5]undecan-4-yl)-3-(triazol-1-yl)propanamide
PubChem CID43595639
Molecular FormulaC15H25N5O
Molecular Weight291.40 g/mol
Exact Mass291.21
IUPAC NameN-(1-azaspiro[5.5]undecan-4-yl)-3-(triazol-1-yl)propanamide
SMILESO=C(CCn1ccnn1)NC1CCNC2(CCCCC2)C1
InChIInChI=1S/C15H25N5O/c21-14(5-10-20-11-9-17-19-20)18-13-4-8-16-15(12-13)6-2-1-3-7-15/h9,11,13,16H,1-8,10,12H2,(H,18,21)
InChIKeyXLAJCBKQBBUUFS-UHFFFAOYSA-N
XLogP1.24
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-azaspiro[5.5]undecan-4-yl)-3-(triazol-1-yl)propanamide?
The IUPAC name of N-(1-azaspiro[5.5]undecan-4-yl)-3-(triazol-1-yl)propanamide (CID 43595639) is N-(1-azaspiro[5.5]undecan-4-yl)-3-(triazol-1-yl)propanamide.
What is the SMILES notation for N-(1-azaspiro[5.5]undecan-4-yl)-3-(triazol-1-yl)propanamide?
The canonical SMILES for N-(1-azaspiro[5.5]undecan-4-yl)-3-(triazol-1-yl)propanamide is O=C(CCn1ccnn1)NC1CCNC2(CCCCC2)C1.
What is the InChIKey of N-(1-azaspiro[5.5]undecan-4-yl)-3-(triazol-1-yl)propanamide?
The InChIKey is XLAJCBKQBBUUFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5O/c21-14(5-10-20-11-9-17-19-20)18-13-4-8-16-15(12-13)6-2-1-3-7-15/h9,11,13,16H,1-8,10,12H2,(H,18,21).
What are the key properties of N-(1-azaspiro[5.5]undecan-4-yl)-3-(triazol-1-yl)propanamide?
N-(1-azaspiro[5.5]undecan-4-yl)-3-(triazol-1-yl)propanamide has a molecular weight of 291.40 g/mol, XLogP of 1.24, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-azaspiro[5.5]undecan-4-yl)-3-(triazol-1-yl)propanamide is sourced from PubChem (CID 43595639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).