(3R)-6-oxo-N-[2-(4-prop-2-ynoxyphenyl)ethyl]piperidine-3-carboxamide

C17H20N2O3 — CID 95286558

IUPAC(3R)-6-oxo-N-[2-(4-prop-2-ynoxyphenyl)ethyl]piperidine-3-carboxamide
SMILESC#CCOc1ccc(CCNC(=O)[C@@H]2CCC(=O)NC2)cc1
InChIInChI=1S/C17H20N2O3/c1-2-11-22-15-6-3-13(4-7-15)9-10-18-17(21)14-5-8-16(20)19-12-14/h1,3-4,6-7,14H,5,8-12H2,(H,18,21)(H,19,20)/t14-/m1/s1
InChIKeySJGUKHPJEGRJAI-CQSZACIVSA-N
MW300.36 g/mol
LogP0.88
Rot. Bonds6

About (3R)-6-oxo-N-[2-(4-prop-2-ynoxyphenyl)ethyl]piperidine-3-carboxamide

(3R)-6-oxo-N-[2-(4-prop-2-ynoxyphenyl)ethyl]piperidine-3-carboxamide (PubChem CID 95286558) has the molecular formula C17H20N2O3 and a molecular weight of 300.36 g/mol. Its IUPAC name is (3R)-6-oxo-N-[2-(4-prop-2-ynoxyphenyl)ethyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-6-oxo-N-[2-(4-prop-2-ynoxyphenyl)ethyl]piperidine-3-carboxamide
PubChem CID95286558
Molecular FormulaC17H20N2O3
Molecular Weight300.36 g/mol
Exact Mass300.15
IUPAC Name(3R)-6-oxo-N-[2-(4-prop-2-ynoxyphenyl)ethyl]piperidine-3-carboxamide
SMILESC#CCOc1ccc(CCNC(=O)[C@@H]2CCC(=O)NC2)cc1
InChIInChI=1S/C17H20N2O3/c1-2-11-22-15-6-3-13(4-7-15)9-10-18-17(21)14-5-8-16(20)19-12-14/h1,3-4,6-7,14H,5,8-12H2,(H,18,21)(H,19,20)/t14-/m1/s1
InChIKeySJGUKHPJEGRJAI-CQSZACIVSA-N
XLogP0.88
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(4-aminophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 81478476
(3R)-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]-6-oxopiperidine-3-carboxamide
CID 95160498
N-(2-aminoethyl)-6-oxopiperidine-3-carboxamide
CID 81459337
3-cyclopentyl-2-methyl-N-[2-(4-prop-2-ynoxyphenyl)ethyl]propanamide
CID 86950147
N-(2-cyclopropylethyl)-6-oxopiperidine-3-carboxamide
CID 79036834
N-[2-[4-methyl-2,3-bis(phenylmethoxy)phenyl]ethyl]-6-oxopiperidine-3-carboxamide
CID 160937779
N-(2-butoxyethyl)-6-oxopiperidine-3-carboxamide
CID 78978293
N-[(6-methyl-3-pyridinyl)methyl]-6-oxopiperidine-3-carboxamide
CID 113223600
N-[2-(4-butoxyphenyl)ethyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119714749
4-(4-fluorophenoxy)-N-[2-(4-prop-2-ynoxyphenyl)ethyl]butanamide
CID 86874580
1-[(4-fluorophenyl)methyl]-3-[2-(4-prop-2-ynoxyphenyl)ethyl]-1-prop-2-ynylurea
CID 86875434
(2S,3R)-1-butyl-2-(4-methoxyphenyl)-6-oxo-N-[2-(4-prop-2-ynoxyphenyl)ethyl]piperidine-3-carboxamide
CID 52503577

Frequently Asked Questions

What is the IUPAC name of (3R)-6-oxo-N-[2-(4-prop-2-ynoxyphenyl)ethyl]piperidine-3-carboxamide?
The IUPAC name of (3R)-6-oxo-N-[2-(4-prop-2-ynoxyphenyl)ethyl]piperidine-3-carboxamide (CID 95286558) is (3R)-6-oxo-N-[2-(4-prop-2-ynoxyphenyl)ethyl]piperidine-3-carboxamide.
What is the SMILES notation for (3R)-6-oxo-N-[2-(4-prop-2-ynoxyphenyl)ethyl]piperidine-3-carboxamide?
The canonical SMILES for (3R)-6-oxo-N-[2-(4-prop-2-ynoxyphenyl)ethyl]piperidine-3-carboxamide is C#CCOc1ccc(CCNC(=O)[C@@H]2CCC(=O)NC2)cc1.
What is the InChIKey of (3R)-6-oxo-N-[2-(4-prop-2-ynoxyphenyl)ethyl]piperidine-3-carboxamide?
The InChIKey is SJGUKHPJEGRJAI-CQSZACIVSA-N. The full InChI is InChI=1S/C17H20N2O3/c1-2-11-22-15-6-3-13(4-7-15)9-10-18-17(21)14-5-8-16(20)19-12-14/h1,3-4,6-7,14H,5,8-12H2,(H,18,21)(H,19,20)/t14-/m1/s1.
What are the key properties of (3R)-6-oxo-N-[2-(4-prop-2-ynoxyphenyl)ethyl]piperidine-3-carboxamide?
(3R)-6-oxo-N-[2-(4-prop-2-ynoxyphenyl)ethyl]piperidine-3-carboxamide has a molecular weight of 300.36 g/mol, XLogP of 0.88, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-6-oxo-N-[2-(4-prop-2-ynoxyphenyl)ethyl]piperidine-3-carboxamide is sourced from PubChem (CID 95286558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).