(2R)-N-[2-[3-(5-methyl-1H-pyrazol-4-yl)phenoxy]ethyl]piperidine-2-carboxamide

C18H24N4O2 — CID 173044805

IUPAC(2R)-N-[2-[3-(5-methyl-1H-pyrazol-4-yl)phenoxy]ethyl]piperidine-2-carboxamide
SMILESCc1[nH]ncc1-c1cccc(OCCNC(=O)[C@H]2CCCCN2)c1
InChIInChI=1S/C18H24N4O2/c1-13-16(12-21-22-13)14-5-4-6-15(11-14)24-10-9-20-18(23)17-7-2-3-8-19-17/h4-6,11-12,17,19H,2-3,7-10H2,1H3,(H,20,23)(H,21,22)/t17-/m1/s1
InChIKeyWADKPJJSDUGZCV-QGZVFWFLSA-N
MW328.42 g/mol
LogP2.02
Rot. Bonds6

About (2R)-N-[2-[3-(5-methyl-1H-pyrazol-4-yl)phenoxy]ethyl]piperidine-2-carboxamide

(2R)-N-[2-[3-(5-methyl-1H-pyrazol-4-yl)phenoxy]ethyl]piperidine-2-carboxamide (PubChem CID 173044805) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is (2R)-N-[2-[3-(5-methyl-1H-pyrazol-4-yl)phenoxy]ethyl]piperidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[2-[3-(5-methyl-1H-pyrazol-4-yl)phenoxy]ethyl]piperidine-2-carboxamide
PubChem CID173044805
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name(2R)-N-[2-[3-(5-methyl-1H-pyrazol-4-yl)phenoxy]ethyl]piperidine-2-carboxamide
SMILESCc1[nH]ncc1-c1cccc(OCCNC(=O)[C@H]2CCCCN2)c1
InChIInChI=1S/C18H24N4O2/c1-13-16(12-21-22-13)14-5-4-6-15(11-14)24-10-9-20-18(23)17-7-2-3-8-19-17/h4-6,11-12,17,19H,2-3,7-10H2,1H3,(H,20,23)(H,21,22)/t17-/m1/s1
InChIKeyWADKPJJSDUGZCV-QGZVFWFLSA-N
XLogP2.02
TPSA79.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 52.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-[3-(5-methyl-1H-pyrazol-4-yl)phenoxy]ethyl]-2-piperidin-4-ylacetamide
CID 173044845
(2S)-N-(2-phenoxyethyl)piperidine-2-carboxamide
CID 58563871
N-(2-phenoxyethyl)piperidine-2-carboxamide
CID 55017247
N-[2-(3-chlorophenoxy)ethyl]piperidine-2-carboxamide;hydrochloride
CID 119295688
N-(2-phenoxyethyl)azepane-2-carboxamide
CID 64562494
N-[2-(4-methylphenoxy)ethyl]piperidine-2-carboxamide
CID 119266821
3-(dimethylamino)-N-[2-[3-(5-methyl-1H-pyrazol-4-yl)phenoxy]ethyl]propanamide
CID 173044787
N-[3-(4-methylphenoxy)propyl]piperidine-2-carboxamide
CID 119308262
N-[2-(4-methylphenoxy)ethyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119266831
(2S)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]piperidine-2-carboxamide
CID 93431387
N-(3-phenoxypropyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119274134
N-[2-(4-propan-2-ylphenoxy)ethyl]piperidine-2-carboxamide;hydrochloride
CID 119295995

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[2-[3-(5-methyl-1H-pyrazol-4-yl)phenoxy]ethyl]piperidine-2-carboxamide?
The IUPAC name of (2R)-N-[2-[3-(5-methyl-1H-pyrazol-4-yl)phenoxy]ethyl]piperidine-2-carboxamide (CID 173044805) is (2R)-N-[2-[3-(5-methyl-1H-pyrazol-4-yl)phenoxy]ethyl]piperidine-2-carboxamide.
What is the SMILES notation for (2R)-N-[2-[3-(5-methyl-1H-pyrazol-4-yl)phenoxy]ethyl]piperidine-2-carboxamide?
The canonical SMILES for (2R)-N-[2-[3-(5-methyl-1H-pyrazol-4-yl)phenoxy]ethyl]piperidine-2-carboxamide is Cc1[nH]ncc1-c1cccc(OCCNC(=O)[C@H]2CCCCN2)c1.
What is the InChIKey of (2R)-N-[2-[3-(5-methyl-1H-pyrazol-4-yl)phenoxy]ethyl]piperidine-2-carboxamide?
The InChIKey is WADKPJJSDUGZCV-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-13-16(12-21-22-13)14-5-4-6-15(11-14)24-10-9-20-18(23)17-7-2-3-8-19-17/h4-6,11-12,17,19H,2-3,7-10H2,1H3,(H,20,23)(H,21,22)/t17-/m1/s1.
What are the key properties of (2R)-N-[2-[3-(5-methyl-1H-pyrazol-4-yl)phenoxy]ethyl]piperidine-2-carboxamide?
(2R)-N-[2-[3-(5-methyl-1H-pyrazol-4-yl)phenoxy]ethyl]piperidine-2-carboxamide has a molecular weight of 328.42 g/mol, XLogP of 2.02, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[2-[3-(5-methyl-1H-pyrazol-4-yl)phenoxy]ethyl]piperidine-2-carboxamide is sourced from PubChem (CID 173044805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).