5-(3,3-difluoropiperidin-1-yl)-2-formamido-2-(1H-1,2,4-triazol-5-yl)pentanamide

C13H20F2N6O2 — CID 146192914

IUPAC5-(3,3-difluoropiperidin-1-yl)-2-formamido-2-(1H-1,2,4-triazol-5-yl)pentanamide
SMILESNC(=O)C(CCCN1CCCC(F)(F)C1)(NC=O)c1ncn[nH]1
InChIInChI=1S/C13H20F2N6O2/c14-12(15)3-1-5-21(7-12)6-2-4-13(10(16)23,18-9-22)11-17-8-19-20-11/h8-9H,1-7H2,(H2,16,23)(H,18,22)(H,17,19,20)
InChIKeyFDXDKPNRUWVZFE-UHFFFAOYSA-N
MW330.34 g/mol
LogP-0.26
Rot. Bonds8

About 5-(3,3-difluoropiperidin-1-yl)-2-formamido-2-(1H-1,2,4-triazol-5-yl)pentanamide

5-(3,3-difluoropiperidin-1-yl)-2-formamido-2-(1H-1,2,4-triazol-5-yl)pentanamide (PubChem CID 146192914) has the molecular formula C13H20F2N6O2 and a molecular weight of 330.34 g/mol. Its IUPAC name is 5-(3,3-difluoropiperidin-1-yl)-2-formamido-2-(1H-1,2,4-triazol-5-yl)pentanamide.

Molecular Properties

Compound Name5-(3,3-difluoropiperidin-1-yl)-2-formamido-2-(1H-1,2,4-triazol-5-yl)pentanamide
PubChem CID146192914
Molecular FormulaC13H20F2N6O2
Molecular Weight330.34 g/mol
Exact Mass330.16
IUPAC Name5-(3,3-difluoropiperidin-1-yl)-2-formamido-2-(1H-1,2,4-triazol-5-yl)pentanamide
SMILESNC(=O)C(CCCN1CCCC(F)(F)C1)(NC=O)c1ncn[nH]1
InChIInChI=1S/C13H20F2N6O2/c14-12(15)3-1-5-21(7-12)6-2-4-13(10(16)23,18-9-22)11-17-8-19-20-11/h8-9H,1-7H2,(H2,16,23)(H,18,22)(H,17,19,20)
InChIKeyFDXDKPNRUWVZFE-UHFFFAOYSA-N
XLogP-0.26
TPSA117.00 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.34
LogP ≤ 5-0.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

5-(3,3-difluoropiperidin-1-yl)-5-formamido-5-(1H-1,2,4-triazol-5-yl)pentanamide
CID 146192916
(4,4-difluoropyrrolidin-2-yl)-[3-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone;dihydrochloride
CID 120352485
(4,4-difluoropyrrolidin-2-yl)-[3-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone
CID 120352486
3-[3-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]-1-(2,2,2-trifluoroethyl)piperidin-2-one
CID 136516990
2-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 154770301
2,2-difluoro-N-[[1-[3-(1H-1,2,4-triazol-5-yl)propanoyl]piperidin-3-yl]methyl]cyclopropane-1-carboxamide
CID 167744894
1-acetyl-N-(1H-1,2,4-triazol-5-ylmethyl)piperidine-3-carboxamide
CID 54885056
3-N-(1H-1,2,4-triazol-5-ylmethyl)piperidine-1,3-dicarboxamide
CID 54885337
1-N,1-N-dimethyl-3-N-(1H-1,2,4-triazol-5-ylmethyl)piperidine-1,3-dicarboxamide
CID 60982932
1-(2-methylpropanoyl)-N-(1H-1,2,4-triazol-5-ylmethyl)piperidine-3-carboxamide
CID 60983453
1-(cyclopropanecarbonyl)-N-(1H-1,2,4-triazol-5-ylmethyl)piperidine-3-carboxamide
CID 60983698
N-(2-aminoethyl)-1-(1H-1,2,4-triazole-5-carbonyl)piperidine-3-carboxamide
CID 63654702

Frequently Asked Questions

What is the IUPAC name of 5-(3,3-difluoropiperidin-1-yl)-2-formamido-2-(1H-1,2,4-triazol-5-yl)pentanamide?
The IUPAC name of 5-(3,3-difluoropiperidin-1-yl)-2-formamido-2-(1H-1,2,4-triazol-5-yl)pentanamide (CID 146192914) is 5-(3,3-difluoropiperidin-1-yl)-2-formamido-2-(1H-1,2,4-triazol-5-yl)pentanamide.
What is the SMILES notation for 5-(3,3-difluoropiperidin-1-yl)-2-formamido-2-(1H-1,2,4-triazol-5-yl)pentanamide?
The canonical SMILES for 5-(3,3-difluoropiperidin-1-yl)-2-formamido-2-(1H-1,2,4-triazol-5-yl)pentanamide is NC(=O)C(CCCN1CCCC(F)(F)C1)(NC=O)c1ncn[nH]1.
What is the InChIKey of 5-(3,3-difluoropiperidin-1-yl)-2-formamido-2-(1H-1,2,4-triazol-5-yl)pentanamide?
The InChIKey is FDXDKPNRUWVZFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F2N6O2/c14-12(15)3-1-5-21(7-12)6-2-4-13(10(16)23,18-9-22)11-17-8-19-20-11/h8-9H,1-7H2,(H2,16,23)(H,18,22)(H,17,19,20).
What are the key properties of 5-(3,3-difluoropiperidin-1-yl)-2-formamido-2-(1H-1,2,4-triazol-5-yl)pentanamide?
5-(3,3-difluoropiperidin-1-yl)-2-formamido-2-(1H-1,2,4-triazol-5-yl)pentanamide has a molecular weight of 330.34 g/mol, XLogP of -0.26, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,3-difluoropiperidin-1-yl)-2-formamido-2-(1H-1,2,4-triazol-5-yl)pentanamide is sourced from PubChem (CID 146192914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).