1-[2-(methoxymethyl)piperidin-1-yl]-4-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]butan-1-one

C19H34N6O2 — CID 24791947

IUPAC1-[2-(methoxymethyl)piperidin-1-yl]-4-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]butan-1-one
SMILESCOCC1CCCCN1C(=O)CCCn1nnnc1CN1CCC(C)CC1
InChIInChI=1S/C19H34N6O2/c1-16-8-12-23(13-9-16)14-18-20-21-22-25(18)11-5-7-19(26)24-10-4-3-6-17(24)15-27-2/h16-17H,3-15H2,1-2H3
InChIKeyQIRHCIDRNBQDQK-UHFFFAOYSA-N
MW378.52 g/mol
LogP1.71
Rot. Bonds8

About 1-[2-(methoxymethyl)piperidin-1-yl]-4-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]butan-1-one

1-[2-(methoxymethyl)piperidin-1-yl]-4-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]butan-1-one (PubChem CID 24791947) has the molecular formula C19H34N6O2 and a molecular weight of 378.52 g/mol. Its IUPAC name is 1-[2-(methoxymethyl)piperidin-1-yl]-4-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]butan-1-one.

Molecular Properties

Compound Name1-[2-(methoxymethyl)piperidin-1-yl]-4-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]butan-1-one
PubChem CID24791947
Molecular FormulaC19H34N6O2
Molecular Weight378.52 g/mol
Exact Mass378.27
IUPAC Name1-[2-(methoxymethyl)piperidin-1-yl]-4-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]butan-1-one
SMILESCOCC1CCCCN1C(=O)CCCn1nnnc1CN1CCC(C)CC1
InChIInChI=1S/C19H34N6O2/c1-16-8-12-23(13-9-16)14-18-20-21-22-25(18)11-5-7-19(26)24-10-4-3-6-17(24)15-27-2/h16-17H,3-15H2,1-2H3
InChIKeyQIRHCIDRNBQDQK-UHFFFAOYSA-N
XLogP1.71
TPSA76.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.52
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4-({1-[2-(4-methyl-1-piperidinyl)-2-oxoethyl]-1H-tetrazol-5-yl}methyl)morpholine
CID 24790701
ethyl 4-(4-{5-[(4-methyl-1-piperidinyl)methyl]-1H-tetrazol-1-yl}butanoyl)-1-piperazinecarboxylate
CID 24791022
4-({1-[4-oxo-4-(3-propoxy-1-piperidinyl)butyl]-1H-tetrazol-5-yl}methyl)morpholine
CID 24791236
ethyl [1-(4-{5-[(4-methyl-1-piperidinyl)methyl]-1H-tetrazol-1-yl}butanoyl)-2-piperidinyl]acetate
CID 24791280
ethyl (1-{4-[5-(4-morpholinylmethyl)-1H-tetrazol-1-yl]butanoyl}-2-piperidinyl)acetate
CID 24816879
N-methyl-4-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]-N-(oxolan-3-yl)butanamide
CID 24793941
N-[2-methyl-2-(4-morpholinyl)propyl]-4-{5-[(4-methyl-1-piperidinyl)methyl]-1H-tetrazol-1-yl}butanamide
CID 24794167
N,N-diethyl-1-[3-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]propanoyl]piperidine-3-carboxamide
CID 24817533
4-{5-[(4-methyl-1-piperidinyl)methyl]-1H-tetrazol-1-yl}-N-[2-(4-morpholinyl)ethyl]butanamide
CID 24819328
2-[4-(4-{5-[(4-methyl-1-piperidinyl)methyl]-1H-tetrazol-1-yl}butanoyl)-1-piperazinyl]ethanol
CID 25297349
2-(5-{[(2R*,6S*)-2,6-dimethyl-4-morpholinyl]methyl}-1H-tetrazol-1-yl)-N-methyl-N-[2-(tetrahydro-2H-pyran-4-yl)ethyl]acetamide
CID 28097685
(3S*)-1-isobutyl-3-methyl-4-{4-[5-(4-morpholinylmethyl)-1H-tetrazol-1-yl]butanoyl}-2-piperazinone
CID 28134259

Frequently Asked Questions

What is the IUPAC name of 1-[2-(methoxymethyl)piperidin-1-yl]-4-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]butan-1-one?
The IUPAC name of 1-[2-(methoxymethyl)piperidin-1-yl]-4-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]butan-1-one (CID 24791947) is 1-[2-(methoxymethyl)piperidin-1-yl]-4-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]butan-1-one.
What is the SMILES notation for 1-[2-(methoxymethyl)piperidin-1-yl]-4-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]butan-1-one?
The canonical SMILES for 1-[2-(methoxymethyl)piperidin-1-yl]-4-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]butan-1-one is COCC1CCCCN1C(=O)CCCn1nnnc1CN1CCC(C)CC1.
What is the InChIKey of 1-[2-(methoxymethyl)piperidin-1-yl]-4-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]butan-1-one?
The InChIKey is QIRHCIDRNBQDQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N6O2/c1-16-8-12-23(13-9-16)14-18-20-21-22-25(18)11-5-7-19(26)24-10-4-3-6-17(24)15-27-2/h16-17H,3-15H2,1-2H3.
What are the key properties of 1-[2-(methoxymethyl)piperidin-1-yl]-4-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]butan-1-one?
1-[2-(methoxymethyl)piperidin-1-yl]-4-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]butan-1-one has a molecular weight of 378.52 g/mol, XLogP of 1.71, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(methoxymethyl)piperidin-1-yl]-4-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]butan-1-one is sourced from PubChem (CID 24791947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).