1-(3-methoxybenzoyl)-N-[3-(triazol-1-yl)propyl]piperidine-4-carboxamide

C19H25N5O3 — CID 135109599

IUPAC1-(3-methoxybenzoyl)-N-[3-(triazol-1-yl)propyl]piperidine-4-carboxamide
SMILESCOc1cccc(C(=O)N2CCC(C(=O)NCCCn3ccnn3)CC2)c1
InChIInChI=1S/C19H25N5O3/c1-27-17-5-2-4-16(14-17)19(26)23-11-6-15(7-12-23)18(25)20-8-3-10-24-13-9-21-22-24/h2,4-5,9,13-15H,3,6-8,10-12H2,1H3,(H,20,25)
InChIKeyMUWLATUCPMCRDL-UHFFFAOYSA-N
MW371.44 g/mol
LogP1.35
Rot. Bonds7

About 1-(3-methoxybenzoyl)-N-[3-(triazol-1-yl)propyl]piperidine-4-carboxamide

1-(3-methoxybenzoyl)-N-[3-(triazol-1-yl)propyl]piperidine-4-carboxamide (PubChem CID 135109599) has the molecular formula C19H25N5O3 and a molecular weight of 371.44 g/mol. Its IUPAC name is 1-(3-methoxybenzoyl)-N-[3-(triazol-1-yl)propyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(3-methoxybenzoyl)-N-[3-(triazol-1-yl)propyl]piperidine-4-carboxamide
PubChem CID135109599
Molecular FormulaC19H25N5O3
Molecular Weight371.44 g/mol
Exact Mass371.20
IUPAC Name1-(3-methoxybenzoyl)-N-[3-(triazol-1-yl)propyl]piperidine-4-carboxamide
SMILESCOc1cccc(C(=O)N2CCC(C(=O)NCCCn3ccnn3)CC2)c1
InChIInChI=1S/C19H25N5O3/c1-27-17-5-2-4-16(14-17)19(26)23-11-6-15(7-12-23)18(25)20-8-3-10-24-13-9-21-22-24/h2,4-5,9,13-15H,3,6-8,10-12H2,1H3,(H,20,25)
InChIKeyMUWLATUCPMCRDL-UHFFFAOYSA-N
XLogP1.35
TPSA89.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(3R)-1-(3-methoxybenzoyl)-N-(3-pyrazol-1-ylpropyl)pyrrolidine-3-carboxamide
CID 92635325
N-butyl-1-(3-methoxybenzoyl)piperidine-4-carboxamide
CID 113002679
N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-1-(3-methoxybenzoyl)piperidine-4-carboxamide
CID 131894462
N-[2-(3-methoxyphenyl)ethyl]-1-(pyridine-3-carbonyl)piperidine-4-carboxamide
CID 113004742
N-[(4-chlorophenyl)methyl]-1-(3-methoxybenzoyl)piperidine-4-carboxamide
CID 113004279
1-(3-methoxybenzoyl)-N-[2-(4-methylpiperidin-1-yl)ethyl]pyrrolidine-3-carboxamide
CID 110246723
(3S)-7-methoxy-N-[3-(triazol-1-yl)propyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 97134116
1-(3-methoxybenzoyl)-N-[[(2R)-oxolan-2-yl]methyl]piperidine-4-carboxamide
CID 124749040
1-(3-methoxybenzoyl)-N-[[(2S)-oxolan-2-yl]methyl]piperidine-4-carboxamide
CID 124749039
1-(3,5-dimethoxybenzoyl)-N-(3-methoxypropyl)piperidine-4-carboxamide
CID 46471462
1-(3-methoxybenzoyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide
CID 90602064
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-(3-methoxybenzoyl)piperidine-4-carboxamide
CID 86285783

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxybenzoyl)-N-[3-(triazol-1-yl)propyl]piperidine-4-carboxamide?
The IUPAC name of 1-(3-methoxybenzoyl)-N-[3-(triazol-1-yl)propyl]piperidine-4-carboxamide (CID 135109599) is 1-(3-methoxybenzoyl)-N-[3-(triazol-1-yl)propyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(3-methoxybenzoyl)-N-[3-(triazol-1-yl)propyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(3-methoxybenzoyl)-N-[3-(triazol-1-yl)propyl]piperidine-4-carboxamide is COc1cccc(C(=O)N2CCC(C(=O)NCCCn3ccnn3)CC2)c1.
What is the InChIKey of 1-(3-methoxybenzoyl)-N-[3-(triazol-1-yl)propyl]piperidine-4-carboxamide?
The InChIKey is MUWLATUCPMCRDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O3/c1-27-17-5-2-4-16(14-17)19(26)23-11-6-15(7-12-23)18(25)20-8-3-10-24-13-9-21-22-24/h2,4-5,9,13-15H,3,6-8,10-12H2,1H3,(H,20,25).
What are the key properties of 1-(3-methoxybenzoyl)-N-[3-(triazol-1-yl)propyl]piperidine-4-carboxamide?
1-(3-methoxybenzoyl)-N-[3-(triazol-1-yl)propyl]piperidine-4-carboxamide has a molecular weight of 371.44 g/mol, XLogP of 1.35, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxybenzoyl)-N-[3-(triazol-1-yl)propyl]piperidine-4-carboxamide is sourced from PubChem (CID 135109599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).