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

C17H23N3O — CID 79158748

IUPACN-[[2-(3-aminoprop-1-ynyl)phenyl]methyl]-3-methylpiperidine-1-carboxamide
SMILESCC1CCCN(C(=O)NCc2ccccc2C#CCN)C1
InChIInChI=1S/C17H23N3O/c1-14-6-5-11-20(13-14)17(21)19-12-16-8-3-2-7-15(16)9-4-10-18/h2-3,7-8,14H,5-6,10-13,18H2,1H3,(H,19,21)
InChIKeyWZHUCGMWXNQXOT-UHFFFAOYSA-N
MW285.39 g/mol
LogP1.94
Rot. Bonds2

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

N-[[2-(3-aminoprop-1-ynyl)phenyl]methyl]-3-methylpiperidine-1-carboxamide (PubChem CID 79158748) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is N-[[2-(3-aminoprop-1-ynyl)phenyl]methyl]-3-methylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-[[2-(3-aminoprop-1-ynyl)phenyl]methyl]-3-methylpiperidine-1-carboxamide
PubChem CID79158748
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC NameN-[[2-(3-aminoprop-1-ynyl)phenyl]methyl]-3-methylpiperidine-1-carboxamide
SMILESCC1CCCN(C(=O)NCc2ccccc2C#CCN)C1
InChIInChI=1S/C17H23N3O/c1-14-6-5-11-20(13-14)17(21)19-12-16-8-3-2-7-15(16)9-4-10-18/h2-3,7-8,14H,5-6,10-13,18H2,1H3,(H,19,21)
InChIKeyWZHUCGMWXNQXOT-UHFFFAOYSA-N
XLogP1.94
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 51.94
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

(3R)-N-[[2-(methoxymethyl)phenyl]methyl]-3-methylpiperidine-1-carboxamide
CID 95641004
N-[2-(3-aminoprop-1-ynyl)-5-methylphenyl]-3-methylpiperidine-1-carboxamide
CID 82750737
N-[[2-(4-hydroxybut-1-ynyl)phenyl]methyl]piperidine-1-carboxamide
CID 79156733
N-[2-(3-hydroxyprop-1-ynyl)phenyl]-3-methylpiperidine-1-carboxamide
CID 79163125
N-[[2-(3-aminoprop-1-ynyl)phenyl]methyl]-2-methylpropanamide
CID 54966873
[3-(3-aminoprop-1-ynyl)-2-pyridinyl]-(4-methylazepan-1-yl)methanone
CID 107524415
N-[[2-(3-aminoprop-1-ynyl)phenyl]methyl]-3-methylsulfanylpropanamide
CID 54966871
N-[2-(3-aminoprop-1-ynyl)phenyl]-4-methylpiperidine-1-carboxamide
CID 79163308
[4-(3-aminoprop-1-ynyl)-3-chlorophenyl]-(3-methylpiperidin-1-yl)methanone
CID 81295346
N-[4-(3-aminoprop-1-ynyl)-2-methylphenyl]-3-methylpiperidine-1-carboxamide
CID 79158740
N-[(2-fluorophenyl)methyl]-2,2-dimethyl-3-(3-methylpiperidin-1-yl)-3-oxopropanamide
CID 108962425
N-ethyl-3-methylpiperidine-1-carboxamide
CID 89048200

Frequently Asked Questions

What is the IUPAC name of N-[[2-(3-aminoprop-1-ynyl)phenyl]methyl]-3-methylpiperidine-1-carboxamide?
The IUPAC name of N-[[2-(3-aminoprop-1-ynyl)phenyl]methyl]-3-methylpiperidine-1-carboxamide (CID 79158748) is N-[[2-(3-aminoprop-1-ynyl)phenyl]methyl]-3-methylpiperidine-1-carboxamide.
What is the SMILES notation for N-[[2-(3-aminoprop-1-ynyl)phenyl]methyl]-3-methylpiperidine-1-carboxamide?
The canonical SMILES for N-[[2-(3-aminoprop-1-ynyl)phenyl]methyl]-3-methylpiperidine-1-carboxamide is CC1CCCN(C(=O)NCc2ccccc2C#CCN)C1.
What is the InChIKey of N-[[2-(3-aminoprop-1-ynyl)phenyl]methyl]-3-methylpiperidine-1-carboxamide?
The InChIKey is WZHUCGMWXNQXOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-14-6-5-11-20(13-14)17(21)19-12-16-8-3-2-7-15(16)9-4-10-18/h2-3,7-8,14H,5-6,10-13,18H2,1H3,(H,19,21).
What are the key properties of N-[[2-(3-aminoprop-1-ynyl)phenyl]methyl]-3-methylpiperidine-1-carboxamide?
N-[[2-(3-aminoprop-1-ynyl)phenyl]methyl]-3-methylpiperidine-1-carboxamide has a molecular weight of 285.39 g/mol, XLogP of 1.94, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3-aminoprop-1-ynyl)phenyl]methyl]-3-methylpiperidine-1-carboxamide is sourced from PubChem (CID 79158748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).