ethyl (2S)-1-[3-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]propanoyl]piperidine-2-carboxylate

C17H28N6O4 — CID 25382715

IUPACethyl (2S)-1-[3-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]propanoyl]piperidine-2-carboxylate
SMILESCCOC(=O)[C@@H]1CCCCN1C(=O)CCn1nnnc1CN1CCOCC1
InChIInChI=1S/C17H28N6O4/c1-2-27-17(25)14-5-3-4-7-22(14)16(24)6-8-23-15(18-19-20-23)13-21-9-11-26-12-10-21/h14H,2-13H2,1H3/t14-/m0/s1
InChIKeyGGKIFASOHOXKTA-AWEZNQCLSA-N
MW380.45 g/mol
LogP-0.16
Rot. Bonds7

About ethyl (2S)-1-[3-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]propanoyl]piperidine-2-carboxylate

ethyl (2S)-1-[3-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]propanoyl]piperidine-2-carboxylate (PubChem CID 25382715) has the molecular formula C17H28N6O4 and a molecular weight of 380.45 g/mol. Its IUPAC name is ethyl (2S)-1-[3-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]propanoyl]piperidine-2-carboxylate.

Molecular Properties

Compound Nameethyl (2S)-1-[3-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]propanoyl]piperidine-2-carboxylate
PubChem CID25382715
Molecular FormulaC17H28N6O4
Molecular Weight380.45 g/mol
Exact Mass380.22
IUPAC Nameethyl (2S)-1-[3-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]propanoyl]piperidine-2-carboxylate
SMILESCCOC(=O)[C@@H]1CCCCN1C(=O)CCn1nnnc1CN1CCOCC1
InChIInChI=1S/C17H28N6O4/c1-2-27-17(25)14-5-3-4-7-22(14)16(24)6-8-23-15(18-19-20-23)13-21-9-11-26-12-10-21/h14H,2-13H2,1H3/t14-/m0/s1
InChIKeyGGKIFASOHOXKTA-AWEZNQCLSA-N
XLogP-0.16
TPSA102.68 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 5-0.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

4-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]-1-[(2R)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]butan-1-one
CID 28685441
1-[(2R)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]-4-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]butan-1-one
CID 97277818
ethyl (3R)-1-[(1-propyltetrazol-5-yl)methyl]piperidine-3-carboxylate
CID 81337751
ethyl (3S)-1-[2-[5-(pyrrolidin-1-ylmethyl)tetrazol-1-yl]acetyl]piperidine-3-carboxylate
CID 42516187
1-[2-(2-methoxyphenyl)pyrrolidin-1-yl]-4-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]butan-1-one
CID 45199802
1-(4-cyclohexyl-1,4-diazepan-1-yl)-4-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]butan-1-one
CID 25379471
1-(3-ethyl-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-5-yl)-4-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]butan-1-one
CID 134086485
ethyl (2R)-1-[6-[(2R)-2-ethoxycarbonylpyrrolidin-1-yl]-6-oxohexanoyl]pyrrolidine-2-carboxylate
CID 10150705
ethyl 4-[2-[5-(pyrrolidin-1-ylmethyl)tetrazol-1-yl]acetyl]piperazine-1-carboxylate
CID 42401938
ethyl 1-[4-(aminomethyl)oxane-4-carbonyl]piperidine-2-carboxylate
CID 115439298
N-(cyclobutylmethyl)-4-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]-N-(oxolan-2-ylmethyl)butanamide
CID 45221297
ethyl 1-propanoylpyrrolidine-2-carboxylate
CID 11845503

Frequently Asked Questions

What is the IUPAC name of ethyl (2S)-1-[3-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]propanoyl]piperidine-2-carboxylate?
The IUPAC name of ethyl (2S)-1-[3-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]propanoyl]piperidine-2-carboxylate (CID 25382715) is ethyl (2S)-1-[3-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]propanoyl]piperidine-2-carboxylate.
What is the SMILES notation for ethyl (2S)-1-[3-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]propanoyl]piperidine-2-carboxylate?
The canonical SMILES for ethyl (2S)-1-[3-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]propanoyl]piperidine-2-carboxylate is CCOC(=O)[C@@H]1CCCCN1C(=O)CCn1nnnc1CN1CCOCC1.
What is the InChIKey of ethyl (2S)-1-[3-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]propanoyl]piperidine-2-carboxylate?
The InChIKey is GGKIFASOHOXKTA-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H28N6O4/c1-2-27-17(25)14-5-3-4-7-22(14)16(24)6-8-23-15(18-19-20-23)13-21-9-11-26-12-10-21/h14H,2-13H2,1H3/t14-/m0/s1.
What are the key properties of ethyl (2S)-1-[3-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]propanoyl]piperidine-2-carboxylate?
ethyl (2S)-1-[3-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]propanoyl]piperidine-2-carboxylate has a molecular weight of 380.45 g/mol, XLogP of -0.16, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2S)-1-[3-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]propanoyl]piperidine-2-carboxylate is sourced from PubChem (CID 25382715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).