N-[(1R)-1-(furan-2-yl)ethyl]-2-[(3S)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]acetamide

C16H23N5O2 — CID 95309263

IUPACN-[(1R)-1-(furan-2-yl)ethyl]-2-[(3S)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]acetamide
SMILESC[C@@H](NC(=O)CN1CCC[C@H](Cn2cncn2)C1)c1ccco1
InChIInChI=1S/C16H23N5O2/c1-13(15-5-3-7-23-15)19-16(22)10-20-6-2-4-14(8-20)9-21-12-17-11-18-21/h3,5,7,11-14H,2,4,6,8-10H2,1H3,(H,19,22)/t13-,14+/m1/s1
InChIKeyZJXGZKOLSAESPG-KGLIPLIRSA-N
MW317.39 g/mol
LogP1.46
Rot. Bonds6

About N-[(1R)-1-(furan-2-yl)ethyl]-2-[(3S)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]acetamide

N-[(1R)-1-(furan-2-yl)ethyl]-2-[(3S)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]acetamide (PubChem CID 95309263) has the molecular formula C16H23N5O2 and a molecular weight of 317.39 g/mol. Its IUPAC name is N-[(1R)-1-(furan-2-yl)ethyl]-2-[(3S)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-[(1R)-1-(furan-2-yl)ethyl]-2-[(3S)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]acetamide
PubChem CID95309263
Molecular FormulaC16H23N5O2
Molecular Weight317.39 g/mol
Exact Mass317.19
IUPAC NameN-[(1R)-1-(furan-2-yl)ethyl]-2-[(3S)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]acetamide
SMILESC[C@@H](NC(=O)CN1CCC[C@H](Cn2cncn2)C1)c1ccco1
InChIInChI=1S/C16H23N5O2/c1-13(15-5-3-7-23-15)19-16(22)10-20-6-2-4-14(8-20)9-21-12-17-11-18-21/h3,5,7,11-14H,2,4,6,8-10H2,1H3,(H,19,22)/t13-,14+/m1/s1
InChIKeyZJXGZKOLSAESPG-KGLIPLIRSA-N
XLogP1.46
TPSA76.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(1R)-1-(furan-2-yl)ethyl]-2-[(3S)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]acetamide with MolForge

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Related Compounds

N-[(1S)-1-phenylethyl]-3-[(3S)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]propanamide
CID 95337910
N-[1-(furan-2-yl)ethyl]-2-[3-(methylaminomethyl)pyrrolidin-1-yl]acetamide
CID 55168863
N-[(1S)-1-(furan-2-yl)ethyl]-2-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]acetamide
CID 100836737
N-(2-thiophen-2-ylethyl)-2-[(3R)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]acetamide
CID 95341631
2-(4-aminopiperidin-1-yl)-N-[1-(furan-2-yl)ethyl]acetamide
CID 43556867
N-(3-phenylpropyl)-2-[(3S)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]acetamide
CID 95341612
N-(5-chloro-2-pyridinyl)-2-[(3S)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]acetamide
CID 95316363
2-[(3R)-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-N-[(1R)-1-(furan-2-yl)ethyl]acetamide
CID 100837584
N-methyl-N-[(2-methylphenyl)methyl]-2-[(3S)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]acetamide
CID 95342401
2-(furan-2-yl)-4-[[(3S)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]-1,3-thiazole
CID 95341610
N-[(1R)-1-thiophen-2-ylethyl]-2-[(2S)-2-(1,2,4-triazol-1-ylmethyl)pyrrolidin-1-yl]acetamide
CID 129429028
2-(4-benzylpiperidin-1-yl)-N-[(1S)-1-(furan-2-yl)ethyl]acetamide
CID 9430556

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(furan-2-yl)ethyl]-2-[(3S)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]acetamide?
The IUPAC name of N-[(1R)-1-(furan-2-yl)ethyl]-2-[(3S)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]acetamide (CID 95309263) is N-[(1R)-1-(furan-2-yl)ethyl]-2-[(3S)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]acetamide.
What is the SMILES notation for N-[(1R)-1-(furan-2-yl)ethyl]-2-[(3S)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]acetamide?
The canonical SMILES for N-[(1R)-1-(furan-2-yl)ethyl]-2-[(3S)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]acetamide is C[C@@H](NC(=O)CN1CCC[C@H](Cn2cncn2)C1)c1ccco1.
What is the InChIKey of N-[(1R)-1-(furan-2-yl)ethyl]-2-[(3S)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]acetamide?
The InChIKey is ZJXGZKOLSAESPG-KGLIPLIRSA-N. The full InChI is InChI=1S/C16H23N5O2/c1-13(15-5-3-7-23-15)19-16(22)10-20-6-2-4-14(8-20)9-21-12-17-11-18-21/h3,5,7,11-14H,2,4,6,8-10H2,1H3,(H,19,22)/t13-,14+/m1/s1.
What are the key properties of N-[(1R)-1-(furan-2-yl)ethyl]-2-[(3S)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]acetamide?
N-[(1R)-1-(furan-2-yl)ethyl]-2-[(3S)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]acetamide has a molecular weight of 317.39 g/mol, XLogP of 1.46, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(furan-2-yl)ethyl]-2-[(3S)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]acetamide is sourced from PubChem (CID 95309263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).