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

C16H20FN5O2 — CID 124570047

IUPAC(3S)-N-[3-(2-fluoroethoxy)phenyl]-3-(1,2,4-triazol-1-yl)piperidine-1-carboxamide
SMILESO=C(Nc1cccc(OCCF)c1)N1CCC[C@H](n2cncn2)C1
InChIInChI=1S/C16H20FN5O2/c17-6-8-24-15-5-1-3-13(9-15)20-16(23)21-7-2-4-14(10-21)22-12-18-11-19-22/h1,3,5,9,11-12,14H,2,4,6-8,10H2,(H,20,23)/t14-/m0/s1
InChIKeyLENSFKBSBRFGQT-AWEZNQCLSA-N
MW333.37 g/mol
LogP2.50
Rot. Bonds5

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

(3S)-N-[3-(2-fluoroethoxy)phenyl]-3-(1,2,4-triazol-1-yl)piperidine-1-carboxamide (PubChem CID 124570047) has the molecular formula C16H20FN5O2 and a molecular weight of 333.37 g/mol. Its IUPAC name is (3S)-N-[3-(2-fluoroethoxy)phenyl]-3-(1,2,4-triazol-1-yl)piperidine-1-carboxamide.

Molecular Properties

Compound Name(3S)-N-[3-(2-fluoroethoxy)phenyl]-3-(1,2,4-triazol-1-yl)piperidine-1-carboxamide
PubChem CID124570047
Molecular FormulaC16H20FN5O2
Molecular Weight333.37 g/mol
Exact Mass333.16
IUPAC Name(3S)-N-[3-(2-fluoroethoxy)phenyl]-3-(1,2,4-triazol-1-yl)piperidine-1-carboxamide
SMILESO=C(Nc1cccc(OCCF)c1)N1CCC[C@H](n2cncn2)C1
InChIInChI=1S/C16H20FN5O2/c17-6-8-24-15-5-1-3-13(9-15)20-16(23)21-7-2-4-14(10-21)22-12-18-11-19-22/h1,3,5,9,11-12,14H,2,4,6-8,10H2,(H,20,23)/t14-/m0/s1
InChIKeyLENSFKBSBRFGQT-AWEZNQCLSA-N
XLogP2.50
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.37
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-N-[3-(2-fluoroethoxy)phenyl]-3-(4-methylpyrazol-1-yl)piperidine-1-carboxamide
CID 124569986
(3aR,6aR)-N-[3-(2-fluoroethoxy)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide
CID 97225832
(3R)-N-(4-ethyl-3-fluorophenyl)-3-(1,2,4-triazol-1-yl)piperidine-1-carboxamide
CID 124594461
1-[[3-(2-fluoroethoxy)phenyl]carbamoyl]piperidine-4-carboxylic acid
CID 122086770
(3R)-N-[2-(dimethylamino)pyrimidin-5-yl]-3-(1,2,4-triazol-1-yl)piperidine-1-carboxamide
CID 124590792
3-hydroxy-N-(3-propoxyphenyl)piperidine-1-carboxamide
CID 47202480
3-(2,3-dimethylphenoxy)-1-[(3S)-3-(1,2,4-triazol-1-yl)piperidin-1-yl]propan-1-one
CID 95283546
1-[[3-(2-methoxyethoxy)phenyl]carbamoyl]piperidine-3-carboxylic acid
CID 122076774
(3S)-N-[3-(2-methoxyethoxy)phenyl]-3-pyrrolidin-1-ylpyrrolidine-1-carboxamide
CID 95168046
(3R)-N-(1-cyclohexyl-1,2,4-triazol-3-yl)-3-(1,2,4-triazol-1-yl)piperidine-1-carboxamide
CID 124617527
3-hydroxy-N-[3-(2-phenylethoxy)phenyl]piperidine-1-carboxamide
CID 110896856
2-(3-chlorophenoxy)-2-methyl-1-[(3R)-3-(1,2,4-triazol-1-yl)piperidin-1-yl]propan-1-one
CID 97069948

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[3-(2-fluoroethoxy)phenyl]-3-(1,2,4-triazol-1-yl)piperidine-1-carboxamide?
The IUPAC name of (3S)-N-[3-(2-fluoroethoxy)phenyl]-3-(1,2,4-triazol-1-yl)piperidine-1-carboxamide (CID 124570047) is (3S)-N-[3-(2-fluoroethoxy)phenyl]-3-(1,2,4-triazol-1-yl)piperidine-1-carboxamide.
What is the SMILES notation for (3S)-N-[3-(2-fluoroethoxy)phenyl]-3-(1,2,4-triazol-1-yl)piperidine-1-carboxamide?
The canonical SMILES for (3S)-N-[3-(2-fluoroethoxy)phenyl]-3-(1,2,4-triazol-1-yl)piperidine-1-carboxamide is O=C(Nc1cccc(OCCF)c1)N1CCC[C@H](n2cncn2)C1.
What is the InChIKey of (3S)-N-[3-(2-fluoroethoxy)phenyl]-3-(1,2,4-triazol-1-yl)piperidine-1-carboxamide?
The InChIKey is LENSFKBSBRFGQT-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H20FN5O2/c17-6-8-24-15-5-1-3-13(9-15)20-16(23)21-7-2-4-14(10-21)22-12-18-11-19-22/h1,3,5,9,11-12,14H,2,4,6-8,10H2,(H,20,23)/t14-/m0/s1.
What are the key properties of (3S)-N-[3-(2-fluoroethoxy)phenyl]-3-(1,2,4-triazol-1-yl)piperidine-1-carboxamide?
(3S)-N-[3-(2-fluoroethoxy)phenyl]-3-(1,2,4-triazol-1-yl)piperidine-1-carboxamide has a molecular weight of 333.37 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[3-(2-fluoroethoxy)phenyl]-3-(1,2,4-triazol-1-yl)piperidine-1-carboxamide is sourced from PubChem (CID 124570047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).