4-(methoxymethyl)-N-[4-(triazol-2-yl)phenyl]piperidine-4-carboxamide

C16H21N5O2 — CID 120623718

IUPAC4-(methoxymethyl)-N-[4-(triazol-2-yl)phenyl]piperidine-4-carboxamide
SMILESCOCC1(C(=O)Nc2ccc(-n3nccn3)cc2)CCNCC1
InChIInChI=1S/C16H21N5O2/c1-23-12-16(6-8-17-9-7-16)15(22)20-13-2-4-14(5-3-13)21-18-10-11-19-21/h2-5,10-11,17H,6-9,12H2,1H3,(H,20,22)
InChIKeyZZNDTHKKASJZBI-UHFFFAOYSA-N
MW315.38 g/mol
LogP1.22
Rot. Bonds5

About 4-(methoxymethyl)-N-[4-(triazol-2-yl)phenyl]piperidine-4-carboxamide

4-(methoxymethyl)-N-[4-(triazol-2-yl)phenyl]piperidine-4-carboxamide (PubChem CID 120623718) has the molecular formula C16H21N5O2 and a molecular weight of 315.38 g/mol. Its IUPAC name is 4-(methoxymethyl)-N-[4-(triazol-2-yl)phenyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name4-(methoxymethyl)-N-[4-(triazol-2-yl)phenyl]piperidine-4-carboxamide
PubChem CID120623718
Molecular FormulaC16H21N5O2
Molecular Weight315.38 g/mol
Exact Mass315.17
IUPAC Name4-(methoxymethyl)-N-[4-(triazol-2-yl)phenyl]piperidine-4-carboxamide
SMILESCOCC1(C(=O)Nc2ccc(-n3nccn3)cc2)CCNCC1
InChIInChI=1S/C16H21N5O2/c1-23-12-16(6-8-17-9-7-16)15(22)20-13-2-4-14(5-3-13)21-18-10-11-19-21/h2-5,10-11,17H,6-9,12H2,1H3,(H,20,22)
InChIKeyZZNDTHKKASJZBI-UHFFFAOYSA-N
XLogP1.22
TPSA81.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-(methoxymethyl)-N-(4-pyrazol-1-ylphenyl)piperidine-4-carboxamide
CID 120619785
N-(4-anilinophenyl)-4-(methoxymethyl)piperidine-4-carboxamide
CID 120616741
N-[4-(2-amino-2-oxoethyl)phenyl]-4-(methoxymethyl)piperidine-4-carboxamide
CID 120620858
4-(methoxymethyl)-N-[2-oxo-2-(4-pyrazol-1-ylanilino)ethyl]piperidine-4-carboxamide;hydrochloride
CID 120630144
4-(methoxymethyl)-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]piperidine-4-carboxamide
CID 120626064
3-methyl-N-[4-(triazol-2-yl)phenyl]piperidine-3-carboxamide
CID 63130247
N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]-4-(methoxymethyl)piperidine-4-carboxamide
CID 120621372
N-[4-(dimethylcarbamoyl)phenyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120617739
N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120621371
N-[4-(ethylcarbamoyl)phenyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120621167
[4-[[4-(methoxymethyl)piperidine-4-carbonyl]amino]phenyl] N,N-dimethylcarbamate
CID 175264615
N-[4-(4-ethoxyphenoxy)phenyl]-4-(methoxymethyl)piperidine-4-carboxamide
CID 120617171

Frequently Asked Questions

What is the IUPAC name of 4-(methoxymethyl)-N-[4-(triazol-2-yl)phenyl]piperidine-4-carboxamide?
The IUPAC name of 4-(methoxymethyl)-N-[4-(triazol-2-yl)phenyl]piperidine-4-carboxamide (CID 120623718) is 4-(methoxymethyl)-N-[4-(triazol-2-yl)phenyl]piperidine-4-carboxamide.
What is the SMILES notation for 4-(methoxymethyl)-N-[4-(triazol-2-yl)phenyl]piperidine-4-carboxamide?
The canonical SMILES for 4-(methoxymethyl)-N-[4-(triazol-2-yl)phenyl]piperidine-4-carboxamide is COCC1(C(=O)Nc2ccc(-n3nccn3)cc2)CCNCC1.
What is the InChIKey of 4-(methoxymethyl)-N-[4-(triazol-2-yl)phenyl]piperidine-4-carboxamide?
The InChIKey is ZZNDTHKKASJZBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O2/c1-23-12-16(6-8-17-9-7-16)15(22)20-13-2-4-14(5-3-13)21-18-10-11-19-21/h2-5,10-11,17H,6-9,12H2,1H3,(H,20,22).
What are the key properties of 4-(methoxymethyl)-N-[4-(triazol-2-yl)phenyl]piperidine-4-carboxamide?
4-(methoxymethyl)-N-[4-(triazol-2-yl)phenyl]piperidine-4-carboxamide has a molecular weight of 315.38 g/mol, XLogP of 1.22, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethyl)-N-[4-(triazol-2-yl)phenyl]piperidine-4-carboxamide is sourced from PubChem (CID 120623718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).