1-(4-methylpiperidin-1-yl)-2-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]ethanone

C14H24N6O2 — CID 24790701

IUPAC1-(4-methylpiperidin-1-yl)-2-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]ethanone
SMILESCC1CCN(C(=O)Cn2nnnc2CN2CCOCC2)CC1
InChIInChI=1S/C14H24N6O2/c1-12-2-4-19(5-3-12)14(21)11-20-13(15-16-17-20)10-18-6-8-22-9-7-18/h12H,2-11H2,1H3
InChIKeyNIQKXYXRSUWXAQ-UHFFFAOYSA-N
MW308.39 g/mol
LogP-0.24
Rot. Bonds4

About 1-(4-methylpiperidin-1-yl)-2-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]ethanone

1-(4-methylpiperidin-1-yl)-2-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]ethanone (PubChem CID 24790701) has the molecular formula C14H24N6O2 and a molecular weight of 308.39 g/mol. Its IUPAC name is 1-(4-methylpiperidin-1-yl)-2-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]ethanone.

Molecular Properties

Compound Name1-(4-methylpiperidin-1-yl)-2-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]ethanone
PubChem CID24790701
Molecular FormulaC14H24N6O2
Molecular Weight308.39 g/mol
Exact Mass308.20
IUPAC Name1-(4-methylpiperidin-1-yl)-2-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]ethanone
SMILESCC1CCN(C(=O)Cn2nnnc2CN2CCOCC2)CC1
InChIInChI=1S/C14H24N6O2/c1-12-2-4-19(5-3-12)14(21)11-20-13(15-16-17-20)10-18-6-8-22-9-7-18/h12H,2-11H2,1H3
InChIKeyNIQKXYXRSUWXAQ-UHFFFAOYSA-N
XLogP-0.24
TPSA76.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.39
LogP ≤ 5-0.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 4-(4-{5-[(4-methyl-1-piperidinyl)methyl]-1H-tetrazol-1-yl}butanoyl)-1-piperazinecarboxylate
CID 24791022
1-[2-(Methoxymethyl)piperidin-1-yl]-4-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]butan-1-one
CID 24791947
1-[1-(2-Methoxy-ethyl)-1H-tetrazol-5-ylmethyl]-4-methyl-piperidine
CID 3201579
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
N-ethyl-N-methyl-2-{3-[4-methyl-5-(morpholin-4-ylmethyl)-4H-1,2,4-triazol-3-yl]piperidin-1-yl}-2-oxoethanamine
CID 70775487
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
1-[(3S)-3-(dimethylamino)-3-[1-(3-methylbutyl)tetrazol-5-yl]piperidin-1-yl]-2-morpholin-4-ylethanone
CID 164635099
(4aS*,8aR*)-2-{[5-(4-morpholinylmethyl)-1H-tetrazol-1-yl]acetyl}decahydroisoquinoline
CID 25293095

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylpiperidin-1-yl)-2-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]ethanone?
The IUPAC name of 1-(4-methylpiperidin-1-yl)-2-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]ethanone (CID 24790701) is 1-(4-methylpiperidin-1-yl)-2-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]ethanone.
What is the SMILES notation for 1-(4-methylpiperidin-1-yl)-2-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]ethanone?
The canonical SMILES for 1-(4-methylpiperidin-1-yl)-2-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]ethanone is CC1CCN(C(=O)Cn2nnnc2CN2CCOCC2)CC1.
What is the InChIKey of 1-(4-methylpiperidin-1-yl)-2-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]ethanone?
The InChIKey is NIQKXYXRSUWXAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N6O2/c1-12-2-4-19(5-3-12)14(21)11-20-13(15-16-17-20)10-18-6-8-22-9-7-18/h12H,2-11H2,1H3.
What are the key properties of 1-(4-methylpiperidin-1-yl)-2-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]ethanone?
1-(4-methylpiperidin-1-yl)-2-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]ethanone has a molecular weight of 308.39 g/mol, XLogP of -0.24, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylpiperidin-1-yl)-2-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]ethanone is sourced from PubChem (CID 24790701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).