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

C19H28N6O2 — CID 14879880

IUPACN-[4-(methoxymethyl)-1-[2-(tetrazol-2-yl)ethyl]piperidin-4-yl]-N-phenylpropanamide
SMILESCCC(=O)N(c1ccccc1)C1(COC)CCN(CCn2ncnn2)CC1
InChIInChI=1S/C19H28N6O2/c1-3-18(26)25(17-7-5-4-6-8-17)19(15-27-2)9-11-23(12-10-19)13-14-24-21-16-20-22-24/h4-8,16H,3,9-15H2,1-2H3
InChIKeyWFKNPFTVPNLLCL-UHFFFAOYSA-N
MW372.47 g/mol
LogP1.60
Rot. Bonds8

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

N-[4-(methoxymethyl)-1-[2-(tetrazol-2-yl)ethyl]piperidin-4-yl]-N-phenylpropanamide (PubChem CID 14879880) has the molecular formula C19H28N6O2 and a molecular weight of 372.47 g/mol. Its IUPAC name is N-[4-(methoxymethyl)-1-[2-(tetrazol-2-yl)ethyl]piperidin-4-yl]-N-phenylpropanamide.

Molecular Properties

Compound NameN-[4-(methoxymethyl)-1-[2-(tetrazol-2-yl)ethyl]piperidin-4-yl]-N-phenylpropanamide
PubChem CID14879880
Molecular FormulaC19H28N6O2
Molecular Weight372.47 g/mol
Exact Mass372.23
IUPAC NameN-[4-(methoxymethyl)-1-[2-(tetrazol-2-yl)ethyl]piperidin-4-yl]-N-phenylpropanamide
SMILESCCC(=O)N(c1ccccc1)C1(COC)CCN(CCn2ncnn2)CC1
InChIInChI=1S/C19H28N6O2/c1-3-18(26)25(17-7-5-4-6-8-17)19(15-27-2)9-11-23(12-10-19)13-14-24-21-16-20-22-24/h4-8,16H,3,9-15H2,1-2H3
InChIKeyWFKNPFTVPNLLCL-UHFFFAOYSA-N
XLogP1.60
TPSA76.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[4-(methoxymethyl)-1-[2-(tetrazol-2-yl)ethyl]piperidin-4-yl]-N-phenylpropanamide?
The IUPAC name of N-[4-(methoxymethyl)-1-[2-(tetrazol-2-yl)ethyl]piperidin-4-yl]-N-phenylpropanamide (CID 14879880) is N-[4-(methoxymethyl)-1-[2-(tetrazol-2-yl)ethyl]piperidin-4-yl]-N-phenylpropanamide.
What is the SMILES notation for N-[4-(methoxymethyl)-1-[2-(tetrazol-2-yl)ethyl]piperidin-4-yl]-N-phenylpropanamide?
The canonical SMILES for N-[4-(methoxymethyl)-1-[2-(tetrazol-2-yl)ethyl]piperidin-4-yl]-N-phenylpropanamide is CCC(=O)N(c1ccccc1)C1(COC)CCN(CCn2ncnn2)CC1.
What is the InChIKey of N-[4-(methoxymethyl)-1-[2-(tetrazol-2-yl)ethyl]piperidin-4-yl]-N-phenylpropanamide?
The InChIKey is WFKNPFTVPNLLCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N6O2/c1-3-18(26)25(17-7-5-4-6-8-17)19(15-27-2)9-11-23(12-10-19)13-14-24-21-16-20-22-24/h4-8,16H,3,9-15H2,1-2H3.
What are the key properties of N-[4-(methoxymethyl)-1-[2-(tetrazol-2-yl)ethyl]piperidin-4-yl]-N-phenylpropanamide?
N-[4-(methoxymethyl)-1-[2-(tetrazol-2-yl)ethyl]piperidin-4-yl]-N-phenylpropanamide has a molecular weight of 372.47 g/mol, XLogP of 1.60, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(methoxymethyl)-1-[2-(tetrazol-2-yl)ethyl]piperidin-4-yl]-N-phenylpropanamide is sourced from PubChem (CID 14879880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).