3-[1-[[1-(cycloheptanecarbonyl)piperidin-4-yl]methyl]triazol-4-yl]propanoic acid

C19H30N4O3 — CID 46987392

IUPAC3-[1-[[1-(cycloheptanecarbonyl)piperidin-4-yl]methyl]triazol-4-yl]propanoic acid
SMILESO=C(O)CCc1cn(CC2CCN(C(=O)C3CCCCCC3)CC2)nn1
InChIInChI=1S/C19H30N4O3/c24-18(25)8-7-17-14-23(21-20-17)13-15-9-11-22(12-10-15)19(26)16-5-3-1-2-4-6-16/h14-16H,1-13H2,(H,24,25)
InChIKeyIFSCIWYPNPKQKB-UHFFFAOYSA-N
MW362.47 g/mol
LogP2.50
Rot. Bonds6

About 3-[1-[[1-(cycloheptanecarbonyl)piperidin-4-yl]methyl]triazol-4-yl]propanoic acid

3-[1-[[1-(cycloheptanecarbonyl)piperidin-4-yl]methyl]triazol-4-yl]propanoic acid (PubChem CID 46987392) has the molecular formula C19H30N4O3 and a molecular weight of 362.47 g/mol. Its IUPAC name is 3-[1-[[1-(cycloheptanecarbonyl)piperidin-4-yl]methyl]triazol-4-yl]propanoic acid.

Molecular Properties

Compound Name3-[1-[[1-(cycloheptanecarbonyl)piperidin-4-yl]methyl]triazol-4-yl]propanoic acid
PubChem CID46987392
Molecular FormulaC19H30N4O3
Molecular Weight362.47 g/mol
Exact Mass362.23
IUPAC Name3-[1-[[1-(cycloheptanecarbonyl)piperidin-4-yl]methyl]triazol-4-yl]propanoic acid
SMILESO=C(O)CCc1cn(CC2CCN(C(=O)C3CCCCCC3)CC2)nn1
InChIInChI=1S/C19H30N4O3/c24-18(25)8-7-17-14-23(21-20-17)13-15-9-11-22(12-10-15)19(26)16-5-3-1-2-4-6-16/h14-16H,1-13H2,(H,24,25)
InChIKeyIFSCIWYPNPKQKB-UHFFFAOYSA-N
XLogP2.50
TPSA88.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

cycloheptyl-[4-[[4-(hydroxymethyl)triazol-1-yl]methyl]piperidin-1-yl]methanone
CID 46986620
[(3S)-3-[(4-butyltriazol-1-yl)methyl]piperidin-1-yl]-cycloheptylmethanone
CID 95047345
3-[1-(oxolan-2-ylmethyl)triazol-4-yl]propanoic acid
CID 107460718
3-[1-(2-cyclopropylethyl)triazol-4-yl]propanoic acid
CID 107460777
3-[1-[[(3S)-1-pyrazin-2-ylpiperidin-3-yl]methyl]triazol-4-yl]propanoic acid
CID 31125379
3-[1-(2,2-difluoroethyl)triazol-4-yl]propanoic acid
CID 107460735
2-[1-(cycloheptanecarbonyl)piperidin-4-yl]acetic acid
CID 79614731
[4-[[4-(methylaminomethyl)triazol-1-yl]methyl]piperidin-1-yl]-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone
CID 45180063
[4-[[4-(methylaminomethyl)triazol-1-yl]methyl]piperidin-1-yl]-(oxan-2-yl)methanone
CID 45221294
1-(cyclohexylmethyl)-4-[2-(1H-imidazol-5-yl)ethyl]triazole
CID 51354876
N-cycloheptyl-4-[(4-cyclopropyltriazol-1-yl)methyl]piperidine-1-carboxamide
CID 46999186
3-[1-(2-hydroxycyclohexyl)triazol-4-yl]propanoic acid
CID 107460597

Frequently Asked Questions

What is the IUPAC name of 3-[1-[[1-(cycloheptanecarbonyl)piperidin-4-yl]methyl]triazol-4-yl]propanoic acid?
The IUPAC name of 3-[1-[[1-(cycloheptanecarbonyl)piperidin-4-yl]methyl]triazol-4-yl]propanoic acid (CID 46987392) is 3-[1-[[1-(cycloheptanecarbonyl)piperidin-4-yl]methyl]triazol-4-yl]propanoic acid.
What is the SMILES notation for 3-[1-[[1-(cycloheptanecarbonyl)piperidin-4-yl]methyl]triazol-4-yl]propanoic acid?
The canonical SMILES for 3-[1-[[1-(cycloheptanecarbonyl)piperidin-4-yl]methyl]triazol-4-yl]propanoic acid is O=C(O)CCc1cn(CC2CCN(C(=O)C3CCCCCC3)CC2)nn1.
What is the InChIKey of 3-[1-[[1-(cycloheptanecarbonyl)piperidin-4-yl]methyl]triazol-4-yl]propanoic acid?
The InChIKey is IFSCIWYPNPKQKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O3/c24-18(25)8-7-17-14-23(21-20-17)13-15-9-11-22(12-10-15)19(26)16-5-3-1-2-4-6-16/h14-16H,1-13H2,(H,24,25).
What are the key properties of 3-[1-[[1-(cycloheptanecarbonyl)piperidin-4-yl]methyl]triazol-4-yl]propanoic acid?
3-[1-[[1-(cycloheptanecarbonyl)piperidin-4-yl]methyl]triazol-4-yl]propanoic acid has a molecular weight of 362.47 g/mol, XLogP of 2.50, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[[1-(cycloheptanecarbonyl)piperidin-4-yl]methyl]triazol-4-yl]propanoic acid is sourced from PubChem (CID 46987392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).