N-[4-(methoxymethyl)-1-[2-(1,2,4-triazol-1-yl)ethyl]piperidin-4-yl]-N-phenylpropanamide

C20H29N5O2 — CID 14879878

IUPACN-[4-(methoxymethyl)-1-[2-(1,2,4-triazol-1-yl)ethyl]piperidin-4-yl]-N-phenylpropanamide
SMILESCCC(=O)N(c1ccccc1)C1(COC)CCN(CCn2cncn2)CC1
InChIInChI=1S/C20H29N5O2/c1-3-19(26)25(18-7-5-4-6-8-18)20(15-27-2)9-11-23(12-10-20)13-14-24-17-21-16-22-24/h4-8,16-17H,3,9-15H2,1-2H3
InChIKeyLNEYRNSJUNJBGU-UHFFFAOYSA-N
MW371.48 g/mol
LogP2.20
Rot. Bonds8

About N-[4-(methoxymethyl)-1-[2-(1,2,4-triazol-1-yl)ethyl]piperidin-4-yl]-N-phenylpropanamide

N-[4-(methoxymethyl)-1-[2-(1,2,4-triazol-1-yl)ethyl]piperidin-4-yl]-N-phenylpropanamide (PubChem CID 14879878) has the molecular formula C20H29N5O2 and a molecular weight of 371.48 g/mol. Its IUPAC name is N-[4-(methoxymethyl)-1-[2-(1,2,4-triazol-1-yl)ethyl]piperidin-4-yl]-N-phenylpropanamide.

Molecular Properties

Compound NameN-[4-(methoxymethyl)-1-[2-(1,2,4-triazol-1-yl)ethyl]piperidin-4-yl]-N-phenylpropanamide
PubChem CID14879878
Molecular FormulaC20H29N5O2
Molecular Weight371.48 g/mol
Exact Mass371.23
IUPAC NameN-[4-(methoxymethyl)-1-[2-(1,2,4-triazol-1-yl)ethyl]piperidin-4-yl]-N-phenylpropanamide
SMILESCCC(=O)N(c1ccccc1)C1(COC)CCN(CCn2cncn2)CC1
InChIInChI=1S/C20H29N5O2/c1-3-19(26)25(18-7-5-4-6-8-18)20(15-27-2)9-11-23(12-10-20)13-14-24-17-21-16-22-24/h4-8,16-17H,3,9-15H2,1-2H3
InChIKeyLNEYRNSJUNJBGU-UHFFFAOYSA-N
XLogP2.20
TPSA63.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.48
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[4-(N-butanoylanilino)-1-[2-(tetrazol-2-yl)ethyl]piperidin-4-yl]methyl butanoate
CID 14494501
N-(2-Fluoro-phenyl)-2-methoxy-N-[3-methyl-1-(2-tetrazol-1-yl-ethyl)-piperidin-4-yl]-acetamide
CID 44329407
[4-(N-propanoylanilino)-1-[2-(tetrazol-2-yl)ethyl]piperidin-4-yl]methyl acetate
CID 14494499
[4-[N-(2-methylpropanoyl)anilino]-1-[2-(tetrazol-2-yl)ethyl]piperidin-4-yl]methyl 2-methylpropanoate
CID 14494503
[4-(N-propanoylanilino)-1-[2-(tetrazol-2-yl)ethyl]piperidin-4-yl]methyl 2,2-dimethylpropanoate
CID 14494505
ethyl [4-(N-propanoylanilino)-1-[2-(tetrazol-2-yl)ethyl]piperidin-4-yl]methyl carbonate
CID 14494507
methyl [4-(N-propanoylanilino)-1-[2-(tetrazol-2-yl)ethyl]piperidin-4-yl]methyl carbonate
CID 14494509
methyl 4-(N-propanoylanilino)-1-[2-(tetrazol-2-yl)ethyl]piperidine-4-carboxylate
CID 14879879
N-[4-(methoxymethyl)-1-[2-(tetrazol-2-yl)ethyl]piperidin-4-yl]-N-phenylpropanamide
CID 14879880
N-[4-(methoxymethyl)-1-[2-(5-morpholin-4-yltetrazol-2-yl)ethyl]piperidin-4-yl]-N-phenylpropanamide
CID 14879882
methyl 4-(N-propanoylanilino)-1-[2-(1,2,4-triazol-1-yl)ethyl]piperidine-4-carboxylate
CID 14879877
2-methoxy-N-[3-methyl-1-[2-(tetrazol-1-yl)ethyl]piperidin-4-yl]-N-phenylpropanamide
CID 44329302

Frequently Asked Questions

What is the IUPAC name of N-[4-(methoxymethyl)-1-[2-(1,2,4-triazol-1-yl)ethyl]piperidin-4-yl]-N-phenylpropanamide?
The IUPAC name of N-[4-(methoxymethyl)-1-[2-(1,2,4-triazol-1-yl)ethyl]piperidin-4-yl]-N-phenylpropanamide (CID 14879878) is N-[4-(methoxymethyl)-1-[2-(1,2,4-triazol-1-yl)ethyl]piperidin-4-yl]-N-phenylpropanamide.
What is the SMILES notation for N-[4-(methoxymethyl)-1-[2-(1,2,4-triazol-1-yl)ethyl]piperidin-4-yl]-N-phenylpropanamide?
The canonical SMILES for N-[4-(methoxymethyl)-1-[2-(1,2,4-triazol-1-yl)ethyl]piperidin-4-yl]-N-phenylpropanamide is CCC(=O)N(c1ccccc1)C1(COC)CCN(CCn2cncn2)CC1.
What is the InChIKey of N-[4-(methoxymethyl)-1-[2-(1,2,4-triazol-1-yl)ethyl]piperidin-4-yl]-N-phenylpropanamide?
The InChIKey is LNEYRNSJUNJBGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N5O2/c1-3-19(26)25(18-7-5-4-6-8-18)20(15-27-2)9-11-23(12-10-20)13-14-24-17-21-16-22-24/h4-8,16-17H,3,9-15H2,1-2H3.
What are the key properties of N-[4-(methoxymethyl)-1-[2-(1,2,4-triazol-1-yl)ethyl]piperidin-4-yl]-N-phenylpropanamide?
N-[4-(methoxymethyl)-1-[2-(1,2,4-triazol-1-yl)ethyl]piperidin-4-yl]-N-phenylpropanamide has a molecular weight of 371.48 g/mol, XLogP of 2.20, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(methoxymethyl)-1-[2-(1,2,4-triazol-1-yl)ethyl]piperidin-4-yl]-N-phenylpropanamide is sourced from PubChem (CID 14879878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).