[6-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptan-2-yl]-piperazin-1-ylmethanone

C16H24N6O — CID 170565607

IUPAC[6-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptan-2-yl]-piperazin-1-ylmethanone
SMILESO=C(N1CCNCC1)N1CC2(CC(n3cnc(C4CC4)n3)C2)C1
InChIInChI=1S/C16H24N6O/c23-15(20-5-3-17-4-6-20)21-9-16(10-21)7-13(8-16)22-11-18-14(19-22)12-1-2-12/h11-13,17H,1-10H2
InChIKeyHYLPCFXDSWCFTJ-UHFFFAOYSA-N
MW316.41 g/mol
LogP0.82
Rot. Bonds2

About [6-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptan-2-yl]-piperazin-1-ylmethanone

[6-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptan-2-yl]-piperazin-1-ylmethanone (PubChem CID 170565607) has the molecular formula C16H24N6O and a molecular weight of 316.41 g/mol. Its IUPAC name is [6-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptan-2-yl]-piperazin-1-ylmethanone.

Molecular Properties

Compound Name[6-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptan-2-yl]-piperazin-1-ylmethanone
PubChem CID170565607
Molecular FormulaC16H24N6O
Molecular Weight316.41 g/mol
Exact Mass316.20
IUPAC Name[6-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptan-2-yl]-piperazin-1-ylmethanone
SMILESO=C(N1CCNCC1)N1CC2(CC(n3cnc(C4CC4)n3)C2)C1
InChIInChI=1S/C16H24N6O/c23-15(20-5-3-17-4-6-20)21-9-16(10-21)7-13(8-16)22-11-18-14(19-22)12-1-2-12/h11-13,17H,1-10H2
InChIKeyHYLPCFXDSWCFTJ-UHFFFAOYSA-N
XLogP0.82
TPSA66.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(4-Ethyl-1,2,4-triazol-3-yl)methyl]-3-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]urea
CID 51082968
1-[3-(4-Methylpiperidin-1-yl)propyl]-3-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea
CID 71893532
N-Cyclopentyl-4-{[4-(cyclopropylmethyl)-4H-1,2,4-triazol-3-YL]methyl}piperidine-1-carboxamide
CID 91908948
N~1~-cyclohexyl-2-[4-(cyclopropylmethyl)-4H-1,2,4-triazol-3-yl]tetrahydro-1(2H)-pyridinecarboxamide
CID 87052208
N~1~-Cyclopentyl-2-[4-(cyclopropylmethyl)-4H-1,2,4-triazol-3-YL]tetrahydro-1(2H)-pyridinecarboxamide
CID 87052209
N-Cyclohexyl-4-{[4-(cyclopropylmethyl)-4H-1,2,4-triazol-3-YL]methyl}piperidine-1-carboxamide
CID 91908947
N-cyclopentyl-N'-({1-[(1-ethyl-1H-1,2,4-triazol-5-yl)methyl]piperidin-3-yl}methyl)urea
CID 56741878
[6-(5-cyclobutyl-1H-1,2,4-triazol-3-yl)-2-azaspiro[3.3]heptan-2-yl]-[4-[(2-methylcyclopropyl)amino]sulfanylpiperazin-1-yl]methanone
CID 170058878
[6-(3-Cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptan-2-yl]-(2,6-diazaspiro[3.3]heptan-2-yl)methanone
CID 170565709
[6-(3-Cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptan-2-yl]-(2-piperidin-1-ylsulfonyl-2,6-diazaspiro[3.3]heptan-6-yl)methanone
CID 170774023
6-(3-Cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptane-2-carbaldehyde
CID 170774071
1-[6-(3-Cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptan-2-yl]ethanone
CID 171732445

Frequently Asked Questions

What is the IUPAC name of [6-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptan-2-yl]-piperazin-1-ylmethanone?
The IUPAC name of [6-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptan-2-yl]-piperazin-1-ylmethanone (CID 170565607) is [6-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptan-2-yl]-piperazin-1-ylmethanone.
What is the SMILES notation for [6-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptan-2-yl]-piperazin-1-ylmethanone?
The canonical SMILES for [6-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptan-2-yl]-piperazin-1-ylmethanone is O=C(N1CCNCC1)N1CC2(CC(n3cnc(C4CC4)n3)C2)C1.
What is the InChIKey of [6-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptan-2-yl]-piperazin-1-ylmethanone?
The InChIKey is HYLPCFXDSWCFTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N6O/c23-15(20-5-3-17-4-6-20)21-9-16(10-21)7-13(8-16)22-11-18-14(19-22)12-1-2-12/h11-13,17H,1-10H2.
What are the key properties of [6-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptan-2-yl]-piperazin-1-ylmethanone?
[6-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptan-2-yl]-piperazin-1-ylmethanone has a molecular weight of 316.41 g/mol, XLogP of 0.82, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptan-2-yl]-piperazin-1-ylmethanone is sourced from PubChem (CID 170565607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).