4-(2-fluorophenoxy)-N-[(1R)-1-(4-propyl-1,2,4-triazol-3-yl)ethyl]piperidine-1-carboxamide

C19H26FN5O2 — CID 125447682

IUPAC4-(2-fluorophenoxy)-N-[(1R)-1-(4-propyl-1,2,4-triazol-3-yl)ethyl]piperidine-1-carboxamide
SMILESCCCn1cnnc1[C@@H](C)NC(=O)N1CCC(Oc2ccccc2F)CC1
InChIInChI=1S/C19H26FN5O2/c1-3-10-25-13-21-23-18(25)14(2)22-19(26)24-11-8-15(9-12-24)27-17-7-5-4-6-16(17)20/h4-7,13-15H,3,8-12H2,1-2H3,(H,22,26)/t14-/m1/s1
InChIKeyGMPPGIHGWNOFFF-CQSZACIVSA-N
MW375.45 g/mol
LogP3.14
Rot. Bonds6

About 4-(2-fluorophenoxy)-N-[(1R)-1-(4-propyl-1,2,4-triazol-3-yl)ethyl]piperidine-1-carboxamide

4-(2-fluorophenoxy)-N-[(1R)-1-(4-propyl-1,2,4-triazol-3-yl)ethyl]piperidine-1-carboxamide (PubChem CID 125447682) has the molecular formula C19H26FN5O2 and a molecular weight of 375.45 g/mol. Its IUPAC name is 4-(2-fluorophenoxy)-N-[(1R)-1-(4-propyl-1,2,4-triazol-3-yl)ethyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(2-fluorophenoxy)-N-[(1R)-1-(4-propyl-1,2,4-triazol-3-yl)ethyl]piperidine-1-carboxamide
PubChem CID125447682
Molecular FormulaC19H26FN5O2
Molecular Weight375.45 g/mol
Exact Mass375.21
IUPAC Name4-(2-fluorophenoxy)-N-[(1R)-1-(4-propyl-1,2,4-triazol-3-yl)ethyl]piperidine-1-carboxamide
SMILESCCCn1cnnc1[C@@H](C)NC(=O)N1CCC(Oc2ccccc2F)CC1
InChIInChI=1S/C19H26FN5O2/c1-3-10-25-13-21-23-18(25)14(2)22-19(26)24-11-8-15(9-12-24)27-17-7-5-4-6-16(17)20/h4-7,13-15H,3,8-12H2,1-2H3,(H,22,26)/t14-/m1/s1
InChIKeyGMPPGIHGWNOFFF-CQSZACIVSA-N
XLogP3.14
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.45
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-(2-fluorophenoxy)-N-[(1R)-1-(4-propyl-1,2,4-triazol-3-yl)ethyl]piperidine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(1S)-1-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-4-(pyridin-2-ylmethoxy)piperidine-1-carboxamide
CID 126452378
N-[(2S)-2-(dimethylamino)-3-methylbutyl]-4-(2-fluorophenoxy)piperidine-1-carboxamide
CID 125448685
4-(2-fluorophenoxy)-N-[(1-methylpiperidin-3-yl)methyl]piperidine-1-carboxamide
CID 119061623
4-[(2-fluorophenyl)methyl]-N-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]piperazine-1-carboxamide
CID 94120086
1-propan-2-yl-N-[(1R)-1-(4-propyl-1,2,4-triazol-3-yl)ethyl]piperidine-4-carboxamide
CID 97208055
4,4-difluoro-N-[(1R)-1-[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]ethyl]piperidine-1-carboxamide
CID 125436477
(3-ethyl-1-methylpyrazol-5-yl)-[4-(2-fluorophenoxy)piperidin-1-yl]methanone
CID 46957568
4-(2,4-difluorophenoxy)-N-[1-(1-propan-2-ylpyrazol-4-yl)ethyl]piperidine-1-carboxamide
CID 139000355
N-[1-[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]ethyl]thiomorpholine-4-carboxamide
CID 122562432
N-[(1S)-1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide
CID 126433181
N-[1-[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]ethyl]-4-pyridin-2-ylpiperazine-1-carboxamide
CID 122565794
1-[4-[4-(2-fluorophenoxy)piperidin-1-yl]piperidin-1-yl]-2-methylpropan-1-one
CID 90616906

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluorophenoxy)-N-[(1R)-1-(4-propyl-1,2,4-triazol-3-yl)ethyl]piperidine-1-carboxamide?
The IUPAC name of 4-(2-fluorophenoxy)-N-[(1R)-1-(4-propyl-1,2,4-triazol-3-yl)ethyl]piperidine-1-carboxamide (CID 125447682) is 4-(2-fluorophenoxy)-N-[(1R)-1-(4-propyl-1,2,4-triazol-3-yl)ethyl]piperidine-1-carboxamide.
What is the SMILES notation for 4-(2-fluorophenoxy)-N-[(1R)-1-(4-propyl-1,2,4-triazol-3-yl)ethyl]piperidine-1-carboxamide?
The canonical SMILES for 4-(2-fluorophenoxy)-N-[(1R)-1-(4-propyl-1,2,4-triazol-3-yl)ethyl]piperidine-1-carboxamide is CCCn1cnnc1[C@@H](C)NC(=O)N1CCC(Oc2ccccc2F)CC1.
What is the InChIKey of 4-(2-fluorophenoxy)-N-[(1R)-1-(4-propyl-1,2,4-triazol-3-yl)ethyl]piperidine-1-carboxamide?
The InChIKey is GMPPGIHGWNOFFF-CQSZACIVSA-N. The full InChI is InChI=1S/C19H26FN5O2/c1-3-10-25-13-21-23-18(25)14(2)22-19(26)24-11-8-15(9-12-24)27-17-7-5-4-6-16(17)20/h4-7,13-15H,3,8-12H2,1-2H3,(H,22,26)/t14-/m1/s1.
What are the key properties of 4-(2-fluorophenoxy)-N-[(1R)-1-(4-propyl-1,2,4-triazol-3-yl)ethyl]piperidine-1-carboxamide?
4-(2-fluorophenoxy)-N-[(1R)-1-(4-propyl-1,2,4-triazol-3-yl)ethyl]piperidine-1-carboxamide has a molecular weight of 375.45 g/mol, XLogP of 3.14, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluorophenoxy)-N-[(1R)-1-(4-propyl-1,2,4-triazol-3-yl)ethyl]piperidine-1-carboxamide is sourced from PubChem (CID 125447682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).