N,N-diethyl-1-[3-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]propanoyl]piperidine-3-carboxamide

C19H33N7O3 — CID 24817533

IUPACN,N-diethyl-1-[3-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]propanoyl]piperidine-3-carboxamide
SMILESCCN(CC)C(=O)C1CCCN(C(=O)CCn2nnnc2CN2CCOCC2)C1
InChIInChI=1S/C19H33N7O3/c1-3-24(4-2)19(28)16-6-5-8-25(14-16)18(27)7-9-26-17(20-21-22-26)15-23-10-12-29-13-11-23/h16H,3-15H2,1-2H3
InChIKeyLERLRJBHQACBHE-UHFFFAOYSA-N
MW407.52 g/mol
LogP0.00
Rot. Bonds8

About N,N-diethyl-1-[3-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]propanoyl]piperidine-3-carboxamide

N,N-diethyl-1-[3-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]propanoyl]piperidine-3-carboxamide (PubChem CID 24817533) has the molecular formula C19H33N7O3 and a molecular weight of 407.52 g/mol. Its IUPAC name is N,N-diethyl-1-[3-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]propanoyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-1-[3-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]propanoyl]piperidine-3-carboxamide
PubChem CID24817533
Molecular FormulaC19H33N7O3
Molecular Weight407.52 g/mol
Exact Mass407.26
IUPAC NameN,N-diethyl-1-[3-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]propanoyl]piperidine-3-carboxamide
SMILESCCN(CC)C(=O)C1CCCN(C(=O)CCn2nnnc2CN2CCOCC2)C1
InChIInChI=1S/C19H33N7O3/c1-3-24(4-2)19(28)16-6-5-8-25(14-16)18(27)7-9-26-17(20-21-22-26)15-23-10-12-29-13-11-23/h16H,3-15H2,1-2H3
InChIKeyLERLRJBHQACBHE-UHFFFAOYSA-N
XLogP0.00
TPSA96.69 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.52
LogP ≤ 50.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-1-[3-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]propanoyl]piperidine-3-carboxamide?
The IUPAC name of N,N-diethyl-1-[3-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]propanoyl]piperidine-3-carboxamide (CID 24817533) is N,N-diethyl-1-[3-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]propanoyl]piperidine-3-carboxamide.
What is the SMILES notation for N,N-diethyl-1-[3-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]propanoyl]piperidine-3-carboxamide?
The canonical SMILES for N,N-diethyl-1-[3-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]propanoyl]piperidine-3-carboxamide is CCN(CC)C(=O)C1CCCN(C(=O)CCn2nnnc2CN2CCOCC2)C1.
What is the InChIKey of N,N-diethyl-1-[3-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]propanoyl]piperidine-3-carboxamide?
The InChIKey is LERLRJBHQACBHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N7O3/c1-3-24(4-2)19(28)16-6-5-8-25(14-16)18(27)7-9-26-17(20-21-22-26)15-23-10-12-29-13-11-23/h16H,3-15H2,1-2H3.
What are the key properties of N,N-diethyl-1-[3-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]propanoyl]piperidine-3-carboxamide?
N,N-diethyl-1-[3-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]propanoyl]piperidine-3-carboxamide has a molecular weight of 407.52 g/mol, XLogP of 0.00, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-1-[3-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]propanoyl]piperidine-3-carboxamide is sourced from PubChem (CID 24817533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).