N-[2-(3-hydroxyprop-1-ynyl)phenyl]-3-methylpiperidine-1-carboxamide

C16H20N2O2 — CID 79163125

IUPACN-[2-(3-hydroxyprop-1-ynyl)phenyl]-3-methylpiperidine-1-carboxamide
SMILESCC1CCCN(C(=O)Nc2ccccc2C#CCO)C1
InChIInChI=1S/C16H20N2O2/c1-13-6-4-10-18(12-13)16(20)17-15-9-3-2-7-14(15)8-5-11-19/h2-3,7,9,13,19H,4,6,10-12H2,1H3,(H,17,20)
InChIKeyQUHJSKXNRGEYJN-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.29
Rot. Bonds1

About N-[2-(3-hydroxyprop-1-ynyl)phenyl]-3-methylpiperidine-1-carboxamide

N-[2-(3-hydroxyprop-1-ynyl)phenyl]-3-methylpiperidine-1-carboxamide (PubChem CID 79163125) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is N-[2-(3-hydroxyprop-1-ynyl)phenyl]-3-methylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-[2-(3-hydroxyprop-1-ynyl)phenyl]-3-methylpiperidine-1-carboxamide
PubChem CID79163125
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC NameN-[2-(3-hydroxyprop-1-ynyl)phenyl]-3-methylpiperidine-1-carboxamide
SMILESCC1CCCN(C(=O)Nc2ccccc2C#CCO)C1
InChIInChI=1S/C16H20N2O2/c1-13-6-4-10-18(12-13)16(20)17-15-9-3-2-7-14(15)8-5-11-19/h2-3,7,9,13,19H,4,6,10-12H2,1H3,(H,17,20)
InChIKeyQUHJSKXNRGEYJN-UHFFFAOYSA-N
XLogP2.29
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(3-hydroxyprop-1-ynyl)phenyl]-4-methylpiperidine-1-carboxamide
CID 79163303
N-[2-(3-hydroxyprop-1-ynyl)-4-methylphenyl]-3-methylpiperidine-1-carboxamide
CID 79158595
N-[2-(3-aminoprop-1-ynyl)phenyl]-4-methylpiperidine-1-carboxamide
CID 79163308
(3R)-N-(2-fluorophenyl)-3-methylpiperidine-1-carboxamide
CID 41097666
N-[2-(3-aminoprop-1-ynyl)-5-methylphenyl]-3-methylpiperidine-1-carboxamide
CID 82750737
N-[2-(3-hydroxyprop-1-ynyl)-5-methylphenyl]pyrrolidine-1-carboxamide
CID 82766359
N-(2-cyanophenyl)-2-(3-methylpiperidin-1-yl)-2-oxoacetamide
CID 108501574
N-[2-(3-hydroxyprop-1-ynyl)phenyl]propanamide
CID 60800142
N-[[2-(3-aminoprop-1-ynyl)phenyl]methyl]-3-methylpiperidine-1-carboxamide
CID 79158748
(3S)-3-methyl-N-(2-prop-2-enylsulfanylphenyl)piperidine-1-carboxamide
CID 51945551
[3-(3-hydroxyprop-1-ynyl)-4-methylphenyl]-(3-methylpiperidin-1-yl)methanone
CID 81476762
[2-(3-hydroxyprop-1-ynyl)phenyl]urea
CID 60803594

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-hydroxyprop-1-ynyl)phenyl]-3-methylpiperidine-1-carboxamide?
The IUPAC name of N-[2-(3-hydroxyprop-1-ynyl)phenyl]-3-methylpiperidine-1-carboxamide (CID 79163125) is N-[2-(3-hydroxyprop-1-ynyl)phenyl]-3-methylpiperidine-1-carboxamide.
What is the SMILES notation for N-[2-(3-hydroxyprop-1-ynyl)phenyl]-3-methylpiperidine-1-carboxamide?
The canonical SMILES for N-[2-(3-hydroxyprop-1-ynyl)phenyl]-3-methylpiperidine-1-carboxamide is CC1CCCN(C(=O)Nc2ccccc2C#CCO)C1.
What is the InChIKey of N-[2-(3-hydroxyprop-1-ynyl)phenyl]-3-methylpiperidine-1-carboxamide?
The InChIKey is QUHJSKXNRGEYJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-13-6-4-10-18(12-13)16(20)17-15-9-3-2-7-14(15)8-5-11-19/h2-3,7,9,13,19H,4,6,10-12H2,1H3,(H,17,20).
What are the key properties of N-[2-(3-hydroxyprop-1-ynyl)phenyl]-3-methylpiperidine-1-carboxamide?
N-[2-(3-hydroxyprop-1-ynyl)phenyl]-3-methylpiperidine-1-carboxamide has a molecular weight of 272.35 g/mol, XLogP of 2.29, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-hydroxyprop-1-ynyl)phenyl]-3-methylpiperidine-1-carboxamide is sourced from PubChem (CID 79163125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).