2,2-difluoro-N-[[1-[3-(1H-1,2,4-triazol-5-yl)propanoyl]piperidin-3-yl]methyl]cyclopropane-1-carboxamide

C15H21F2N5O2 — CID 167744894

IUPAC2,2-difluoro-N-[[1-[3-(1H-1,2,4-triazol-5-yl)propanoyl]piperidin-3-yl]methyl]cyclopropane-1-carboxamide
SMILESO=C(NCC1CCCN(C(=O)CCc2ncn[nH]2)C1)C1CC1(F)F
InChIInChI=1S/C15H21F2N5O2/c16-15(17)6-11(15)14(24)18-7-10-2-1-5-22(8-10)13(23)4-3-12-19-9-20-21-12/h9-11H,1-8H2,(H,18,24)(H,19,20,21)
InChIKeyVHXRQNKBPFJZID-UHFFFAOYSA-N
MW341.36 g/mol
LogP0.75
Rot. Bonds6

About 2,2-difluoro-N-[[1-[3-(1H-1,2,4-triazol-5-yl)propanoyl]piperidin-3-yl]methyl]cyclopropane-1-carboxamide

2,2-difluoro-N-[[1-[3-(1H-1,2,4-triazol-5-yl)propanoyl]piperidin-3-yl]methyl]cyclopropane-1-carboxamide (PubChem CID 167744894) has the molecular formula C15H21F2N5O2 and a molecular weight of 341.36 g/mol. Its IUPAC name is 2,2-difluoro-N-[[1-[3-(1H-1,2,4-triazol-5-yl)propanoyl]piperidin-3-yl]methyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2,2-difluoro-N-[[1-[3-(1H-1,2,4-triazol-5-yl)propanoyl]piperidin-3-yl]methyl]cyclopropane-1-carboxamide
PubChem CID167744894
Molecular FormulaC15H21F2N5O2
Molecular Weight341.36 g/mol
Exact Mass341.17
IUPAC Name2,2-difluoro-N-[[1-[3-(1H-1,2,4-triazol-5-yl)propanoyl]piperidin-3-yl]methyl]cyclopropane-1-carboxamide
SMILESO=C(NCC1CCCN(C(=O)CCc2ncn[nH]2)C1)C1CC1(F)F
InChIInChI=1S/C15H21F2N5O2/c16-15(17)6-11(15)14(24)18-7-10-2-1-5-22(8-10)13(23)4-3-12-19-9-20-21-12/h9-11H,1-8H2,(H,18,24)(H,19,20,21)
InChIKeyVHXRQNKBPFJZID-UHFFFAOYSA-N
XLogP0.75
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.36
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2,2-difluoro-N-[[1-[3-(1H-1,2,4-triazol-5-yl)propanoyl]piperidin-3-yl]methyl]cyclopropane-1-carboxamide with MolForge

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Related Compounds

1-[4-(1-piperidinyl)butanoyl]-4-(4H-1,2,4-triazol-3-yl)piperidine
CID 72871952
4-[4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]-4-oxo-N-propylbutanamide
CID 75463312
(3S)-3-[2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]piperidin-2-one
CID 164641363
5-(3,3-difluoropiperidin-1-yl)-2-formamido-2-(1H-1,2,4-triazol-5-yl)pentanamide
CID 146192914
5-oxo-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 64548398
4,4,4-trifluoro-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]butanamide
CID 65711980
1-[4-(4-Ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]-3-(2,2,2-trifluoroethylamino)propan-1-one
CID 72141826
N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 79020004
N-[3-(1H-1,2,4-triazol-5-yl)propyl]-4-(trifluoromethyl)cyclohexane-1-carboxamide
CID 81929294
N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-4-(trifluoromethyl)cyclohexane-1-carboxamide
CID 81932631
4,4-difluoro-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]cyclohexane-1-carboxamide
CID 81932652
4,4-difluoro-N-[3-(1H-1,2,4-triazol-5-yl)propyl]cyclohexane-1-carboxamide
CID 81932911

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-N-[[1-[3-(1H-1,2,4-triazol-5-yl)propanoyl]piperidin-3-yl]methyl]cyclopropane-1-carboxamide?
The IUPAC name of 2,2-difluoro-N-[[1-[3-(1H-1,2,4-triazol-5-yl)propanoyl]piperidin-3-yl]methyl]cyclopropane-1-carboxamide (CID 167744894) is 2,2-difluoro-N-[[1-[3-(1H-1,2,4-triazol-5-yl)propanoyl]piperidin-3-yl]methyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 2,2-difluoro-N-[[1-[3-(1H-1,2,4-triazol-5-yl)propanoyl]piperidin-3-yl]methyl]cyclopropane-1-carboxamide?
The canonical SMILES for 2,2-difluoro-N-[[1-[3-(1H-1,2,4-triazol-5-yl)propanoyl]piperidin-3-yl]methyl]cyclopropane-1-carboxamide is O=C(NCC1CCCN(C(=O)CCc2ncn[nH]2)C1)C1CC1(F)F.
What is the InChIKey of 2,2-difluoro-N-[[1-[3-(1H-1,2,4-triazol-5-yl)propanoyl]piperidin-3-yl]methyl]cyclopropane-1-carboxamide?
The InChIKey is VHXRQNKBPFJZID-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F2N5O2/c16-15(17)6-11(15)14(24)18-7-10-2-1-5-22(8-10)13(23)4-3-12-19-9-20-21-12/h9-11H,1-8H2,(H,18,24)(H,19,20,21).
What are the key properties of 2,2-difluoro-N-[[1-[3-(1H-1,2,4-triazol-5-yl)propanoyl]piperidin-3-yl]methyl]cyclopropane-1-carboxamide?
2,2-difluoro-N-[[1-[3-(1H-1,2,4-triazol-5-yl)propanoyl]piperidin-3-yl]methyl]cyclopropane-1-carboxamide has a molecular weight of 341.36 g/mol, XLogP of 0.75, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-N-[[1-[3-(1H-1,2,4-triazol-5-yl)propanoyl]piperidin-3-yl]methyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 167744894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).