N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-(5-methyltetrazol-1-yl)-3-phenylpropanamide

C19H28N6O2 — CID 120888731

IUPACN-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-(5-methyltetrazol-1-yl)-3-phenylpropanamide
SMILESCOCC1(CNC(=O)C(Cc2ccccc2)n2nnnc2C)CCNCC1
InChIInChI=1S/C19H28N6O2/c1-15-22-23-24-25(15)17(12-16-6-4-3-5-7-16)18(26)21-13-19(14-27-2)8-10-20-11-9-19/h3-7,17,20H,8-14H2,1-2H3,(H,21,26)
InChIKeyDADLASRMKHHFRY-UHFFFAOYSA-N
MW372.47 g/mol
LogP0.90
Rot. Bonds8

About N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-(5-methyltetrazol-1-yl)-3-phenylpropanamide

N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-(5-methyltetrazol-1-yl)-3-phenylpropanamide (PubChem CID 120888731) has the molecular formula C19H28N6O2 and a molecular weight of 372.47 g/mol. Its IUPAC name is N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-(5-methyltetrazol-1-yl)-3-phenylpropanamide.

Molecular Properties

Compound NameN-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-(5-methyltetrazol-1-yl)-3-phenylpropanamide
PubChem CID120888731
Molecular FormulaC19H28N6O2
Molecular Weight372.47 g/mol
Exact Mass372.23
IUPAC NameN-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-(5-methyltetrazol-1-yl)-3-phenylpropanamide
SMILESCOCC1(CNC(=O)C(Cc2ccccc2)n2nnnc2C)CCNCC1
InChIInChI=1S/C19H28N6O2/c1-15-22-23-24-25(15)17(12-16-6-4-3-5-7-16)18(26)21-13-19(14-27-2)8-10-20-11-9-19/h3-7,17,20H,8-14H2,1-2H3,(H,21,26)
InChIKeyDADLASRMKHHFRY-UHFFFAOYSA-N
XLogP0.90
TPSA93.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3-(3-fluorophenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-(5-methyltetrazol-1-yl)propanamide
CID 120888827
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-phenylmethoxypropanamide
CID 120890807
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-(5-phenyltetrazol-2-yl)propanamide
CID 120889053
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3,3-diphenylpropanamide
CID 120888993
N-[1-[[4-(methoxymethyl)piperidin-4-yl]methylamino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
CID 120888678
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-phenylbutanamide
CID 120887701
4-[[[3-(4-fluorophenyl)-2-(5-methyltetrazol-1-yl)propanoyl]amino]methyl]oxane-4-carboxylic acid
CID 120542576
2-(4-benzylpiperidin-1-yl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]propanamide
CID 120890321
3-(4-fluorophenyl)-2-(5-methyltetrazol-1-yl)-N-piperidin-4-ylpropanamide;hydrochloride
CID 119386064
N-(2-amino-2-ethylbutyl)-2-(5-methyltetrazol-1-yl)-3-phenylpropanamide;hydrochloride
CID 119642838
2-(2-benzylphenoxy)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]propanamide
CID 120891722
2-benzyl-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide
CID 120890613

Frequently Asked Questions

What is the IUPAC name of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-(5-methyltetrazol-1-yl)-3-phenylpropanamide?
The IUPAC name of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-(5-methyltetrazol-1-yl)-3-phenylpropanamide (CID 120888731) is N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-(5-methyltetrazol-1-yl)-3-phenylpropanamide.
What is the SMILES notation for N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-(5-methyltetrazol-1-yl)-3-phenylpropanamide?
The canonical SMILES for N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-(5-methyltetrazol-1-yl)-3-phenylpropanamide is COCC1(CNC(=O)C(Cc2ccccc2)n2nnnc2C)CCNCC1.
What is the InChIKey of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-(5-methyltetrazol-1-yl)-3-phenylpropanamide?
The InChIKey is DADLASRMKHHFRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N6O2/c1-15-22-23-24-25(15)17(12-16-6-4-3-5-7-16)18(26)21-13-19(14-27-2)8-10-20-11-9-19/h3-7,17,20H,8-14H2,1-2H3,(H,21,26).
What are the key properties of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-(5-methyltetrazol-1-yl)-3-phenylpropanamide?
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-(5-methyltetrazol-1-yl)-3-phenylpropanamide has a molecular weight of 372.47 g/mol, XLogP of 0.90, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-(5-methyltetrazol-1-yl)-3-phenylpropanamide is sourced from PubChem (CID 120888731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).