4-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)piperidine-1-carboxamide

C18H24N6O2 — CID 146139780

IUPAC4-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)piperidine-1-carboxamide
SMILESO=C(Nc1noc2c1CCCC2)N1CCC(c2nnc3n2CCC3)CC1
InChIInChI=1S/C18H24N6O2/c25-18(19-16-13-4-1-2-5-14(13)26-22-16)23-10-7-12(8-11-23)17-21-20-15-6-3-9-24(15)17/h12H,1-11H2,(H,19,22,25)
InChIKeyGJHMTZGMEPJOTF-UHFFFAOYSA-N
MW356.43 g/mol
LogP2.50
Rot. Bonds2

About 4-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)piperidine-1-carboxamide

4-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)piperidine-1-carboxamide (PubChem CID 146139780) has the molecular formula C18H24N6O2 and a molecular weight of 356.43 g/mol. Its IUPAC name is 4-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)piperidine-1-carboxamide
PubChem CID146139780
Molecular FormulaC18H24N6O2
Molecular Weight356.43 g/mol
Exact Mass356.20
IUPAC Name4-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)piperidine-1-carboxamide
SMILESO=C(Nc1noc2c1CCCC2)N1CCC(c2nnc3n2CCC3)CC1
InChIInChI=1S/C18H24N6O2/c25-18(19-16-13-4-1-2-5-14(13)26-22-16)23-10-7-12(8-11-23)17-21-20-15-6-3-9-24(15)17/h12H,1-11H2,(H,19,22,25)
InChIKeyGJHMTZGMEPJOTF-UHFFFAOYSA-N
XLogP2.50
TPSA89.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)piperidine-1-carboxamide with MolForge

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Related Compounds

4-(1,2-oxazol-3-yl)-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)piperidine-1-carboxamide
CID 146139777
4-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-N-(6-methoxy-3-pyridinyl)piperidine-1-carboxamide
CID 75479801
1,3-dihydro-2-benzofuran-5-yl-[4-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)piperidin-1-yl]methanone
CID 49195447
N-(2-phenylethyl)-4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)piperidine-1-carboxamide
CID 119060560
N-[1-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)ethyl]-4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carboxamide
CID 127917847
(4-methoxyphenyl)-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)piperidin-1-yl]methanone
CID 92595107
1-[4-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)piperidin-1-yl]-3-(pyrimidin-2-ylamino)propan-1-one
CID 56817264
1-[4-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)piperidin-1-yl]-3-phenylpropan-1-one
CID 75479285
N-[2-[4-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)piperidin-1-yl]-2-oxoethyl]-N-methylmethanesulfonamide
CID 75479749
[3-(1-methylpiperidin-4-yl)-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-7-yl]-(2-methyl-4,5,6,7-tetrahydro-1-benzofuran-3-yl)methanone
CID 92623782
[4-(oxolan-2-ylmethoxy)phenyl]-[3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)piperidin-1-yl]methanone
CID 55556391
(3R)-3-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-N-(1,3-thiazol-2-yl)piperidine-1-carboxamide
CID 97219637

Frequently Asked Questions

What is the IUPAC name of 4-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)piperidine-1-carboxamide?
The IUPAC name of 4-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)piperidine-1-carboxamide (CID 146139780) is 4-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)piperidine-1-carboxamide.
What is the SMILES notation for 4-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)piperidine-1-carboxamide?
The canonical SMILES for 4-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)piperidine-1-carboxamide is O=C(Nc1noc2c1CCCC2)N1CCC(c2nnc3n2CCC3)CC1.
What is the InChIKey of 4-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)piperidine-1-carboxamide?
The InChIKey is GJHMTZGMEPJOTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6O2/c25-18(19-16-13-4-1-2-5-14(13)26-22-16)23-10-7-12(8-11-23)17-21-20-15-6-3-9-24(15)17/h12H,1-11H2,(H,19,22,25).
What are the key properties of 4-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)piperidine-1-carboxamide?
4-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)piperidine-1-carboxamide has a molecular weight of 356.43 g/mol, XLogP of 2.50, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)piperidine-1-carboxamide is sourced from PubChem (CID 146139780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).