N-[[2-(4-hydroxybut-1-ynyl)phenyl]methyl]piperidine-1-carboxamide

C17H22N2O2 — CID 79156733

IUPACN-[[2-(4-hydroxybut-1-ynyl)phenyl]methyl]piperidine-1-carboxamide
SMILESO=C(NCc1ccccc1C#CCCO)N1CCCCC1
InChIInChI=1S/C17H22N2O2/c20-13-7-4-9-15-8-2-3-10-16(15)14-18-17(21)19-11-5-1-6-12-19/h2-3,8,10,20H,1,5-7,11-14H2,(H,18,21)
InChIKeySYACTKKKXWHYAM-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.12
Rot. Bonds3

About N-[[2-(4-hydroxybut-1-ynyl)phenyl]methyl]piperidine-1-carboxamide

N-[[2-(4-hydroxybut-1-ynyl)phenyl]methyl]piperidine-1-carboxamide (PubChem CID 79156733) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is N-[[2-(4-hydroxybut-1-ynyl)phenyl]methyl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[[2-(4-hydroxybut-1-ynyl)phenyl]methyl]piperidine-1-carboxamide
PubChem CID79156733
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC NameN-[[2-(4-hydroxybut-1-ynyl)phenyl]methyl]piperidine-1-carboxamide
SMILESO=C(NCc1ccccc1C#CCCO)N1CCCCC1
InChIInChI=1S/C17H22N2O2/c20-13-7-4-9-15-8-2-3-10-16(15)14-18-17(21)19-11-5-1-6-12-19/h2-3,8,10,20H,1,5-7,11-14H2,(H,18,21)
InChIKeySYACTKKKXWHYAM-UHFFFAOYSA-N
XLogP2.12
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.12
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-methylphenyl)methyl]piperidine-1-carboxamide
CID 108897154
N-[(2-fluorophenyl)methyl]piperidine-1-carboxamide
CID 108897499
N-[[2-(3-aminoprop-1-ynyl)phenyl]methyl]-3-methylpiperidine-1-carboxamide
CID 79158748
N-benzylazonane-1-carboxamide
CID 130689649
4-(2-ethylphenyl)but-3-yn-1-ol
CID 130165779
N-[(2-methoxyphenyl)methyl]pyrrolidine-1-carboxamide
CID 38150329
N-[[2-(4-hydroxybut-1-ynyl)phenyl]methyl]-1H-pyrazole-4-carboxamide
CID 63078905
N-[6-(4-hydroxybut-1-ynyl)-2-pyridinyl]piperidine-1-carboxamide
CID 79155648
N-[6-(4-hydroxybut-1-ynyl)-2-pyridinyl]azepane-1-carboxamide
CID 79157673
2-[2-[(1,4-thiazepane-4-carbonylamino)methyl]phenyl]acetic acid
CID 81313280
2-(4-hydroxybut-1-ynyl)-N-piperidin-1-ylbenzenesulfonamide
CID 83015263
N-[[4-(4-hydroxybut-1-ynyl)phenyl]methyl]morpholine-4-carboxamide
CID 79157114

Frequently Asked Questions

What is the IUPAC name of N-[[2-(4-hydroxybut-1-ynyl)phenyl]methyl]piperidine-1-carboxamide?
The IUPAC name of N-[[2-(4-hydroxybut-1-ynyl)phenyl]methyl]piperidine-1-carboxamide (CID 79156733) is N-[[2-(4-hydroxybut-1-ynyl)phenyl]methyl]piperidine-1-carboxamide.
What is the SMILES notation for N-[[2-(4-hydroxybut-1-ynyl)phenyl]methyl]piperidine-1-carboxamide?
The canonical SMILES for N-[[2-(4-hydroxybut-1-ynyl)phenyl]methyl]piperidine-1-carboxamide is O=C(NCc1ccccc1C#CCCO)N1CCCCC1.
What is the InChIKey of N-[[2-(4-hydroxybut-1-ynyl)phenyl]methyl]piperidine-1-carboxamide?
The InChIKey is SYACTKKKXWHYAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c20-13-7-4-9-15-8-2-3-10-16(15)14-18-17(21)19-11-5-1-6-12-19/h2-3,8,10,20H,1,5-7,11-14H2,(H,18,21).
What are the key properties of N-[[2-(4-hydroxybut-1-ynyl)phenyl]methyl]piperidine-1-carboxamide?
N-[[2-(4-hydroxybut-1-ynyl)phenyl]methyl]piperidine-1-carboxamide has a molecular weight of 286.38 g/mol, XLogP of 2.12, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(4-hydroxybut-1-ynyl)phenyl]methyl]piperidine-1-carboxamide is sourced from PubChem (CID 79156733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).