(2R)-N-[3-[2-(1,2,4-triazol-1-yl)ethoxy]phenyl]piperidine-2-carboxamide

C16H21N5O2 — CID 119859094

IUPAC(2R)-N-[3-[2-(1,2,4-triazol-1-yl)ethoxy]phenyl]piperidine-2-carboxamide
SMILESO=C(Nc1cccc(OCCn2cncn2)c1)[C@H]1CCCCN1
InChIInChI=1S/C16H21N5O2/c22-16(15-6-1-2-7-18-15)20-13-4-3-5-14(10-13)23-9-8-21-12-17-11-19-21/h3-5,10-12,15,18H,1-2,6-9H2,(H,20,22)/t15-/m1/s1
InChIKeyLQGWGUHKYAIBCG-OAHLLOKOSA-N
MW315.38 g/mol
LogP1.44
Rot. Bonds6

About (2R)-N-[3-[2-(1,2,4-triazol-1-yl)ethoxy]phenyl]piperidine-2-carboxamide

(2R)-N-[3-[2-(1,2,4-triazol-1-yl)ethoxy]phenyl]piperidine-2-carboxamide (PubChem CID 119859094) has the molecular formula C16H21N5O2 and a molecular weight of 315.38 g/mol. Its IUPAC name is (2R)-N-[3-[2-(1,2,4-triazol-1-yl)ethoxy]phenyl]piperidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[3-[2-(1,2,4-triazol-1-yl)ethoxy]phenyl]piperidine-2-carboxamide
PubChem CID119859094
Molecular FormulaC16H21N5O2
Molecular Weight315.38 g/mol
Exact Mass315.17
IUPAC Name(2R)-N-[3-[2-(1,2,4-triazol-1-yl)ethoxy]phenyl]piperidine-2-carboxamide
SMILESO=C(Nc1cccc(OCCn2cncn2)c1)[C@H]1CCCCN1
InChIInChI=1S/C16H21N5O2/c22-16(15-6-1-2-7-18-15)20-13-4-3-5-14(10-13)23-9-8-21-12-17-11-19-21/h3-5,10-12,15,18H,1-2,6-9H2,(H,20,22)/t15-/m1/s1
InChIKeyLQGWGUHKYAIBCG-OAHLLOKOSA-N
XLogP1.44
TPSA81.07 Ų
H-Bond Donors2
H-Bond Acceptors6
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 ≤ 106

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Related Compounds

N-[3-(1,2,4-triazol-1-ylmethyl)phenyl]piperidine-2-carboxamide
CID 60944276
N-[3-(2-fluoroethoxy)phenyl]piperidine-2-carboxamide
CID 119337980
N-[3-(2-methylsulfonylethoxy)phenyl]piperidine-2-carboxamide
CID 119312153
N-[3-(2-methylpropoxy)phenyl]piperidine-2-carboxamide
CID 60927108
(2S)-N-(3-ethoxyphenyl)pyrrolidine-2-carboxamide
CID 61179058
(2R)-N-[3-[2-(methylamino)-2-oxoethoxy]phenyl]piperidine-2-carboxamide
CID 103809015
3-(3,5-dimethylphenoxy)-N-[3-[2-(1,2,4-triazol-1-yl)ethoxy]phenyl]propanamide
CID 55769708
N-[3-(pyridin-2-ylmethoxy)phenyl]piperidine-2-carboxamide
CID 119846086
1-(4-acetylphenyl)sulfonyl-N-[3-[2-(1,2,4-triazol-1-yl)ethoxy]phenyl]piperidine-2-carboxamide
CID 55881754
2-[3-(pyrrolidine-2-carbonylamino)phenoxy]acetic acid
CID 55243432
2-[3-[[(2S)-pyrrolidine-2-carbonyl]amino]phenoxy]acetic acid
CID 55243430
(2R)-N-(3-methoxyphenyl)azepane-2-carboxamide
CID 124509646

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[3-[2-(1,2,4-triazol-1-yl)ethoxy]phenyl]piperidine-2-carboxamide?
The IUPAC name of (2R)-N-[3-[2-(1,2,4-triazol-1-yl)ethoxy]phenyl]piperidine-2-carboxamide (CID 119859094) is (2R)-N-[3-[2-(1,2,4-triazol-1-yl)ethoxy]phenyl]piperidine-2-carboxamide.
What is the SMILES notation for (2R)-N-[3-[2-(1,2,4-triazol-1-yl)ethoxy]phenyl]piperidine-2-carboxamide?
The canonical SMILES for (2R)-N-[3-[2-(1,2,4-triazol-1-yl)ethoxy]phenyl]piperidine-2-carboxamide is O=C(Nc1cccc(OCCn2cncn2)c1)[C@H]1CCCCN1.
What is the InChIKey of (2R)-N-[3-[2-(1,2,4-triazol-1-yl)ethoxy]phenyl]piperidine-2-carboxamide?
The InChIKey is LQGWGUHKYAIBCG-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H21N5O2/c22-16(15-6-1-2-7-18-15)20-13-4-3-5-14(10-13)23-9-8-21-12-17-11-19-21/h3-5,10-12,15,18H,1-2,6-9H2,(H,20,22)/t15-/m1/s1.
What are the key properties of (2R)-N-[3-[2-(1,2,4-triazol-1-yl)ethoxy]phenyl]piperidine-2-carboxamide?
(2R)-N-[3-[2-(1,2,4-triazol-1-yl)ethoxy]phenyl]piperidine-2-carboxamide has a molecular weight of 315.38 g/mol, XLogP of 1.44, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[3-[2-(1,2,4-triazol-1-yl)ethoxy]phenyl]piperidine-2-carboxamide is sourced from PubChem (CID 119859094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).