N-[[1-(2H-triazole-4-carbonyl)piperidin-3-yl]methyl]furan-3-carboxamide

C14H17N5O3 — CID 131912720

IUPACN-[[1-(2H-triazole-4-carbonyl)piperidin-3-yl]methyl]furan-3-carboxamide
SMILESO=C(NCC1CCCN(C(=O)c2cn[nH]n2)C1)c1ccoc1
InChIInChI=1S/C14H17N5O3/c20-13(11-3-5-22-9-11)15-6-10-2-1-4-19(8-10)14(21)12-7-16-18-17-12/h3,5,7,9-10H,1-2,4,6,8H2,(H,15,20)(H,16,17,18)
InChIKeyCYDVFRPGFUZTPB-UHFFFAOYSA-N
MW303.32 g/mol
LogP0.68
Rot. Bonds4

About N-[[1-(2H-triazole-4-carbonyl)piperidin-3-yl]methyl]furan-3-carboxamide

N-[[1-(2H-triazole-4-carbonyl)piperidin-3-yl]methyl]furan-3-carboxamide (PubChem CID 131912720) has the molecular formula C14H17N5O3 and a molecular weight of 303.32 g/mol. Its IUPAC name is N-[[1-(2H-triazole-4-carbonyl)piperidin-3-yl]methyl]furan-3-carboxamide.

Molecular Properties

Compound NameN-[[1-(2H-triazole-4-carbonyl)piperidin-3-yl]methyl]furan-3-carboxamide
PubChem CID131912720
Molecular FormulaC14H17N5O3
Molecular Weight303.32 g/mol
Exact Mass303.13
IUPAC NameN-[[1-(2H-triazole-4-carbonyl)piperidin-3-yl]methyl]furan-3-carboxamide
SMILESO=C(NCC1CCCN(C(=O)c2cn[nH]n2)C1)c1ccoc1
InChIInChI=1S/C14H17N5O3/c20-13(11-3-5-22-9-11)15-6-10-2-1-4-19(8-10)14(21)12-7-16-18-17-12/h3,5,7,9-10H,1-2,4,6,8H2,(H,15,20)(H,16,17,18)
InChIKeyCYDVFRPGFUZTPB-UHFFFAOYSA-N
XLogP0.68
TPSA104.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[1-[(2-methyl-1H-imidazol-5-yl)methyl]piperidin-3-yl]methyl]furan-3-carboxamide
CID 131939771
N-[[1-(3-methylbut-2-enyl)piperidin-3-yl]methyl]furan-3-carboxamide
CID 131937285
[(3R)-3-aminopyrrolidin-1-yl]-(2H-triazol-4-yl)methanone
CID 115301640
4-fluoro-N-[[(3R)-1-(6-methylpyridine-2-carbonyl)piperidin-3-yl]methyl]benzamide
CID 25481314
4-[3-(benzamidomethyl)piperidine-1-carbonyl]benzoic acid
CID 119183635
[3-(aminomethyl)pyrrolidin-1-yl]-(2H-triazol-4-yl)methanone
CID 63282840
methyl 4-[(3R)-3-[[(4-fluorobenzoyl)amino]methyl]piperidine-1-carbonyl]benzoate
CID 42157752
methyl 4-[3-[[(4-fluorobenzoyl)amino]methyl]piperidine-1-carbonyl]benzoate
CID 24817518
3-[3-[(propan-2-ylamino)methyl]piperidine-1-carbonyl]-1H-pyridazin-6-one
CID 103805714
N-[2-(cyclopentylmethylamino)-2-oxoethyl]furan-3-carboxamide
CID 38304482
formic acid;N-[[1-(3,3,3-trifluoropropyl)piperidin-3-yl]methyl]furan-3-carboxamide
CID 154912021
N-[[(3R)-1-cyclohexylpyrrolidin-3-yl]methyl]-2H-triazole-4-carboxamide
CID 125439680

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2H-triazole-4-carbonyl)piperidin-3-yl]methyl]furan-3-carboxamide?
The IUPAC name of N-[[1-(2H-triazole-4-carbonyl)piperidin-3-yl]methyl]furan-3-carboxamide (CID 131912720) is N-[[1-(2H-triazole-4-carbonyl)piperidin-3-yl]methyl]furan-3-carboxamide.
What is the SMILES notation for N-[[1-(2H-triazole-4-carbonyl)piperidin-3-yl]methyl]furan-3-carboxamide?
The canonical SMILES for N-[[1-(2H-triazole-4-carbonyl)piperidin-3-yl]methyl]furan-3-carboxamide is O=C(NCC1CCCN(C(=O)c2cn[nH]n2)C1)c1ccoc1.
What is the InChIKey of N-[[1-(2H-triazole-4-carbonyl)piperidin-3-yl]methyl]furan-3-carboxamide?
The InChIKey is CYDVFRPGFUZTPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O3/c20-13(11-3-5-22-9-11)15-6-10-2-1-4-19(8-10)14(21)12-7-16-18-17-12/h3,5,7,9-10H,1-2,4,6,8H2,(H,15,20)(H,16,17,18).
What are the key properties of N-[[1-(2H-triazole-4-carbonyl)piperidin-3-yl]methyl]furan-3-carboxamide?
N-[[1-(2H-triazole-4-carbonyl)piperidin-3-yl]methyl]furan-3-carboxamide has a molecular weight of 303.32 g/mol, XLogP of 0.68, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2H-triazole-4-carbonyl)piperidin-3-yl]methyl]furan-3-carboxamide is sourced from PubChem (CID 131912720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).