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

C17H28N6O4 — CID 24791048

IUPACethyl 1-[3-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]propanoyl]piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(C(=O)CCn2nnnc2CN2CCOCC2)C1
InChIInChI=1S/C17H28N6O4/c1-2-27-17(25)14-4-3-6-22(12-14)16(24)5-7-23-15(18-19-20-23)13-21-8-10-26-11-9-21/h14H,2-13H2,1H3
InChIKeyKRCGWNDUHGSUIE-UHFFFAOYSA-N
MW380.45 g/mol
LogP-0.30
Rot. Bonds7

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

ethyl 1-[3-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]propanoyl]piperidine-3-carboxylate (PubChem CID 24791048) has the molecular formula C17H28N6O4 and a molecular weight of 380.45 g/mol. Its IUPAC name is ethyl 1-[3-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]propanoyl]piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-[3-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]propanoyl]piperidine-3-carboxylate
PubChem CID24791048
Molecular FormulaC17H28N6O4
Molecular Weight380.45 g/mol
Exact Mass380.22
IUPAC Nameethyl 1-[3-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]propanoyl]piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(C(=O)CCn2nnnc2CN2CCOCC2)C1
InChIInChI=1S/C17H28N6O4/c1-2-27-17(25)14-4-3-6-22(12-14)16(24)5-7-23-15(18-19-20-23)13-21-8-10-26-11-9-21/h14H,2-13H2,1H3
InChIKeyKRCGWNDUHGSUIE-UHFFFAOYSA-N
XLogP-0.30
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 ≤ 5-0.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-[3-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]propanoyl]piperidine-3-carboxylate?
The IUPAC name of ethyl 1-[3-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]propanoyl]piperidine-3-carboxylate (CID 24791048) is ethyl 1-[3-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]propanoyl]piperidine-3-carboxylate.
What is the SMILES notation for ethyl 1-[3-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]propanoyl]piperidine-3-carboxylate?
The canonical SMILES for ethyl 1-[3-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]propanoyl]piperidine-3-carboxylate is CCOC(=O)C1CCCN(C(=O)CCn2nnnc2CN2CCOCC2)C1.
What is the InChIKey of ethyl 1-[3-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]propanoyl]piperidine-3-carboxylate?
The InChIKey is KRCGWNDUHGSUIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N6O4/c1-2-27-17(25)14-4-3-6-22(12-14)16(24)5-7-23-15(18-19-20-23)13-21-8-10-26-11-9-21/h14H,2-13H2,1H3.
What are the key properties of ethyl 1-[3-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]propanoyl]piperidine-3-carboxylate?
ethyl 1-[3-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]propanoyl]piperidine-3-carboxylate has a molecular weight of 380.45 g/mol, XLogP of -0.30, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[3-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]propanoyl]piperidine-3-carboxylate is sourced from PubChem (CID 24791048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).