N-(1-azaspiro[5.5]undecan-4-yl)-3-(1,2,4-triazol-1-yl)propanamide

C15H25N5O — CID 43595636

IUPACN-(1-azaspiro[5.5]undecan-4-yl)-3-(1,2,4-triazol-1-yl)propanamide
SMILESO=C(CCn1cncn1)NC1CCNC2(CCCCC2)C1
InChIInChI=1S/C15H25N5O/c21-14(5-9-20-12-16-11-18-20)19-13-4-8-17-15(10-13)6-2-1-3-7-15/h11-13,17H,1-10H2,(H,19,21)
InChIKeyXLPJJOHCBJRZKY-UHFFFAOYSA-N
MW291.40 g/mol
LogP1.24
Rot. Bonds4

About N-(1-azaspiro[5.5]undecan-4-yl)-3-(1,2,4-triazol-1-yl)propanamide

N-(1-azaspiro[5.5]undecan-4-yl)-3-(1,2,4-triazol-1-yl)propanamide (PubChem CID 43595636) 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-(1,2,4-triazol-1-yl)propanamide.

Molecular Properties

Compound NameN-(1-azaspiro[5.5]undecan-4-yl)-3-(1,2,4-triazol-1-yl)propanamide
PubChem CID43595636
Molecular FormulaC15H25N5O
Molecular Weight291.40 g/mol
Exact Mass291.21
IUPAC NameN-(1-azaspiro[5.5]undecan-4-yl)-3-(1,2,4-triazol-1-yl)propanamide
SMILESO=C(CCn1cncn1)NC1CCNC2(CCCCC2)C1
InChIInChI=1S/C15H25N5O/c21-14(5-9-20-12-16-11-18-20)19-13-4-8-17-15(10-13)6-2-1-3-7-15/h11-13,17H,1-10H2,(H,19,21)
InChIKeyXLPJJOHCBJRZKY-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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Related Compounds

N-(cyclopentylmethyl)-3-(1,2,4-triazol-1-yl)propanamide
CID 53520691
3-Amino-1-[4-cyclohexyl-4-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]-3-methylbutan-1-one
CID 172437015
N-(1-propyl-1H-1,2,4-triazol-3-yl)-N'-(2,2,6,6-tetramethylpiperidin-4-yl)urea
CID 46992670
N-[(4-ethylcyclohexyl)methyl]-4-(1,2,4-triazol-1-yl)butanamide
CID 51094230
N-(2,3-dimethylcyclohexyl)-2-[3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]propanamide
CID 53609517
N-(2,6-dimethylheptan-4-yl)-3-(1,2,4-triazol-1-yl)propanamide
CID 71933440
4-(1,2,4-triazol-1-yl)-N-[(1S,2S)-2-(2,2,2-trifluoroethyl)cyclohexyl]butanamide
CID 137993425
N-(4-methylcyclohexyl)-2-(1,2,4-triazol-1-yl)propanamide
CID 42947733
N-[1-(cyclohexylmethyl)-3-piperidinyl]-2-(1H-1,2,4-triazol-1-yl)acetamide
CID 45205798
N-(1-acetylpiperidin-4-yl)-3-(1,2,4-triazol-1-yl)propanamide
CID 47149858
N-[(1-isobutyrylpiperidin-4-yl)methyl]-1-(1H-1,2,4-triazol-1-yl)propan-2-amine
CID 50984321
3-(1,2,4-triazol-1-yl)-N-tridecan-6-ylpropanamide
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Frequently Asked Questions

What is the IUPAC name of N-(1-azaspiro[5.5]undecan-4-yl)-3-(1,2,4-triazol-1-yl)propanamide?
The IUPAC name of N-(1-azaspiro[5.5]undecan-4-yl)-3-(1,2,4-triazol-1-yl)propanamide (CID 43595636) is N-(1-azaspiro[5.5]undecan-4-yl)-3-(1,2,4-triazol-1-yl)propanamide.
What is the SMILES notation for N-(1-azaspiro[5.5]undecan-4-yl)-3-(1,2,4-triazol-1-yl)propanamide?
The canonical SMILES for N-(1-azaspiro[5.5]undecan-4-yl)-3-(1,2,4-triazol-1-yl)propanamide is O=C(CCn1cncn1)NC1CCNC2(CCCCC2)C1.
What is the InChIKey of N-(1-azaspiro[5.5]undecan-4-yl)-3-(1,2,4-triazol-1-yl)propanamide?
The InChIKey is XLPJJOHCBJRZKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5O/c21-14(5-9-20-12-16-11-18-20)19-13-4-8-17-15(10-13)6-2-1-3-7-15/h11-13,17H,1-10H2,(H,19,21).
What are the key properties of N-(1-azaspiro[5.5]undecan-4-yl)-3-(1,2,4-triazol-1-yl)propanamide?
N-(1-azaspiro[5.5]undecan-4-yl)-3-(1,2,4-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-(1,2,4-triazol-1-yl)propanamide is sourced from PubChem (CID 43595636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).