5-[2-(2-piperidin-1-ylethoxy)phenyl]-2H-triazole-4-carboxamide

C16H21N5O2 — CID 169403652

IUPAC5-[2-(2-piperidin-1-ylethoxy)phenyl]-2H-triazole-4-carboxamide
SMILESNC(=O)c1n[nH]nc1-c1ccccc1OCCN1CCCCC1
InChIInChI=1S/C16H21N5O2/c17-16(22)15-14(18-20-19-15)12-6-2-3-7-13(12)23-11-10-21-8-4-1-5-9-21/h2-3,6-7H,1,4-5,8-11H2,(H2,17,22)(H,18,19,20)
InChIKeyXQRCUCLOIBNXBR-UHFFFAOYSA-N
MW315.38 g/mol
LogP1.44
Rot. Bonds6

About 5-[2-(2-piperidin-1-ylethoxy)phenyl]-2H-triazole-4-carboxamide

5-[2-(2-piperidin-1-ylethoxy)phenyl]-2H-triazole-4-carboxamide (PubChem CID 169403652) has the molecular formula C16H21N5O2 and a molecular weight of 315.38 g/mol. Its IUPAC name is 5-[2-(2-piperidin-1-ylethoxy)phenyl]-2H-triazole-4-carboxamide.

Molecular Properties

Compound Name5-[2-(2-piperidin-1-ylethoxy)phenyl]-2H-triazole-4-carboxamide
PubChem CID169403652
Molecular FormulaC16H21N5O2
Molecular Weight315.38 g/mol
Exact Mass315.17
IUPAC Name5-[2-(2-piperidin-1-ylethoxy)phenyl]-2H-triazole-4-carboxamide
SMILESNC(=O)c1n[nH]nc1-c1ccccc1OCCN1CCCCC1
InChIInChI=1S/C16H21N5O2/c17-16(22)15-14(18-20-19-15)12-6-2-3-7-13(12)23-11-10-21-8-4-1-5-9-21/h2-3,6-7H,1,4-5,8-11H2,(H2,17,22)(H,18,19,20)
InChIKeyXQRCUCLOIBNXBR-UHFFFAOYSA-N
XLogP1.44
TPSA97.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[2-(4-morpholin-4-ylbutoxy)phenyl]-2H-triazole-4-carboxamide
CID 169403663
5-[3-(2-piperidin-1-ylethoxy)phenyl]-2H-triazole-4-carboxamide
CID 169403649
5-[2-[(2-chlorophenyl)methoxy]phenyl]-2H-triazole-4-carboxamide
CID 169402786
ethyl 5-[2-[2-(2,6-dimethylmorpholin-4-yl)ethoxy]phenyl]-2H-triazole-4-carboxylate
CID 169400547
5-[2-[(4-chlorophenyl)methoxy]phenyl]-2H-triazole-4-carboxamide
CID 169403078
1,2-bis[2-[2-(azocan-1-yl)ethoxy]phenyl]ethane-1,2-dione
CID 21486308
2-[2-(azocan-1-yl)ethoxy]aniline
CID 43174279
1-[2-(2-methoxyphenoxy)ethyl]piperidine
CID 867242
2-[2-(azocan-1-yl)ethoxy]benzenecarbothioamide
CID 43290517
1-[2-[2-(furan-2-yl)phenoxy]ethyl]piperidine
CID 168525389
5-[4-[2-(3-methylpiperidin-1-yl)ethoxy]phenyl]-2H-triazole-4-carboxamide
CID 169403538
ethyl 5-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]-2H-triazole-4-carboxylate
CID 169400673

Frequently Asked Questions

What is the IUPAC name of 5-[2-(2-piperidin-1-ylethoxy)phenyl]-2H-triazole-4-carboxamide?
The IUPAC name of 5-[2-(2-piperidin-1-ylethoxy)phenyl]-2H-triazole-4-carboxamide (CID 169403652) is 5-[2-(2-piperidin-1-ylethoxy)phenyl]-2H-triazole-4-carboxamide.
What is the SMILES notation for 5-[2-(2-piperidin-1-ylethoxy)phenyl]-2H-triazole-4-carboxamide?
The canonical SMILES for 5-[2-(2-piperidin-1-ylethoxy)phenyl]-2H-triazole-4-carboxamide is NC(=O)c1n[nH]nc1-c1ccccc1OCCN1CCCCC1.
What is the InChIKey of 5-[2-(2-piperidin-1-ylethoxy)phenyl]-2H-triazole-4-carboxamide?
The InChIKey is XQRCUCLOIBNXBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O2/c17-16(22)15-14(18-20-19-15)12-6-2-3-7-13(12)23-11-10-21-8-4-1-5-9-21/h2-3,6-7H,1,4-5,8-11H2,(H2,17,22)(H,18,19,20).
What are the key properties of 5-[2-(2-piperidin-1-ylethoxy)phenyl]-2H-triazole-4-carboxamide?
5-[2-(2-piperidin-1-ylethoxy)phenyl]-2H-triazole-4-carboxamide has a molecular weight of 315.38 g/mol, XLogP of 1.44, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2-piperidin-1-ylethoxy)phenyl]-2H-triazole-4-carboxamide is sourced from PubChem (CID 169403652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).