N-[(1S)-1-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-4-(pyridin-2-ylmethoxy)piperidine-1-carboxamide

C18H26N6O2 — CID 126452378

IUPACN-[(1S)-1-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-4-(pyridin-2-ylmethoxy)piperidine-1-carboxamide
SMILESCCn1cnnc1[C@H](C)NC(=O)N1CCC(OCc2ccccn2)CC1
InChIInChI=1S/C18H26N6O2/c1-3-23-13-20-22-17(23)14(2)21-18(25)24-10-7-16(8-11-24)26-12-15-6-4-5-9-19-15/h4-6,9,13-14,16H,3,7-8,10-12H2,1-2H3,(H,21,25)/t14-/m0/s1
InChIKeyGQLFAZXBRUDPKG-AWEZNQCLSA-N
MW358.45 g/mol
LogP2.14
Rot. Bonds6

About N-[(1S)-1-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-4-(pyridin-2-ylmethoxy)piperidine-1-carboxamide

N-[(1S)-1-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-4-(pyridin-2-ylmethoxy)piperidine-1-carboxamide (PubChem CID 126452378) has the molecular formula C18H26N6O2 and a molecular weight of 358.45 g/mol. Its IUPAC name is N-[(1S)-1-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-4-(pyridin-2-ylmethoxy)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-4-(pyridin-2-ylmethoxy)piperidine-1-carboxamide
PubChem CID126452378
Molecular FormulaC18H26N6O2
Molecular Weight358.45 g/mol
Exact Mass358.21
IUPAC NameN-[(1S)-1-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-4-(pyridin-2-ylmethoxy)piperidine-1-carboxamide
SMILESCCn1cnnc1[C@H](C)NC(=O)N1CCC(OCc2ccccn2)CC1
InChIInChI=1S/C18H26N6O2/c1-3-23-13-20-22-17(23)14(2)21-18(25)24-10-7-16(8-11-24)26-12-15-6-4-5-9-19-15/h4-6,9,13-14,16H,3,7-8,10-12H2,1-2H3,(H,21,25)/t14-/m0/s1
InChIKeyGQLFAZXBRUDPKG-AWEZNQCLSA-N
XLogP2.14
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.45
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(1S)-1-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-4-(pyridin-2-ylmethoxy)piperidine-1-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

4-(2-fluorophenoxy)-N-[(1R)-1-(4-propyl-1,2,4-triazol-3-yl)ethyl]piperidine-1-carboxamide
CID 125447682
2-[(1-propan-2-ylpiperidin-4-yl)oxymethyl]pyridine
CID 134434529
N-[1-[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]ethyl]-4-pyridin-2-ylpiperazine-1-carboxamide
CID 122565794
1-ethyl-5-[4-(pyridin-2-ylmethoxy)piperidine-1-carbonyl]piperidin-2-one
CID 72865091
N-[[(2R)-oxolan-2-yl]methyl]-4-(pyridin-2-ylmethoxy)piperidine-1-carboxamide
CID 121496359
N-[(1S)-1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide
CID 126433181
2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1-[4-(pyridin-2-ylmethoxy)piperidin-1-yl]ethanone
CID 118775788
(3R)-3-[4-(pyridin-2-ylmethoxy)piperidine-1-carbonyl]piperidine-1-carboxamide
CID 97150223
cyclopropyl-[(2S)-2-[4-(pyridin-2-ylmethoxy)piperidine-1-carbonyl]pyrrolidin-1-yl]methanone
CID 118776457
[6-[4-(pyridin-2-ylmethoxy)piperidin-1-yl]pyrazin-2-yl]-pyrrolidin-1-ylmethanone
CID 135115714
1-tert-butyl-4-[4-(pyridin-2-ylmethoxy)piperidine-1-carbonyl]pyrrolidin-2-one
CID 70721447
N-[(1R)-1-(4-bromophenyl)ethyl]-2-[(3S)-3-(pyridin-2-ylmethoxy)pyrrolidin-1-yl]acetamide
CID 97020692

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-4-(pyridin-2-ylmethoxy)piperidine-1-carboxamide?
The IUPAC name of N-[(1S)-1-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-4-(pyridin-2-ylmethoxy)piperidine-1-carboxamide (CID 126452378) is N-[(1S)-1-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-4-(pyridin-2-ylmethoxy)piperidine-1-carboxamide.
What is the SMILES notation for N-[(1S)-1-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-4-(pyridin-2-ylmethoxy)piperidine-1-carboxamide?
The canonical SMILES for N-[(1S)-1-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-4-(pyridin-2-ylmethoxy)piperidine-1-carboxamide is CCn1cnnc1[C@H](C)NC(=O)N1CCC(OCc2ccccn2)CC1.
What is the InChIKey of N-[(1S)-1-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-4-(pyridin-2-ylmethoxy)piperidine-1-carboxamide?
The InChIKey is GQLFAZXBRUDPKG-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H26N6O2/c1-3-23-13-20-22-17(23)14(2)21-18(25)24-10-7-16(8-11-24)26-12-15-6-4-5-9-19-15/h4-6,9,13-14,16H,3,7-8,10-12H2,1-2H3,(H,21,25)/t14-/m0/s1.
What are the key properties of N-[(1S)-1-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-4-(pyridin-2-ylmethoxy)piperidine-1-carboxamide?
N-[(1S)-1-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-4-(pyridin-2-ylmethoxy)piperidine-1-carboxamide has a molecular weight of 358.45 g/mol, XLogP of 2.14, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-4-(pyridin-2-ylmethoxy)piperidine-1-carboxamide is sourced from PubChem (CID 126452378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).