N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-4-methoxy-1-[2-(tetrazol-1-yl)acetyl]piperidine-4-carboxamide

C16H23N7O3S — CID 154570582

IUPACN-[(4-ethyl-1,3-thiazol-2-yl)methyl]-4-methoxy-1-[2-(tetrazol-1-yl)acetyl]piperidine-4-carboxamide
SMILESCCc1csc(CNC(=O)C2(OC)CCN(C(=O)Cn3cnnn3)CC2)n1
InChIInChI=1S/C16H23N7O3S/c1-3-12-10-27-13(19-12)8-17-15(25)16(26-2)4-6-22(7-5-16)14(24)9-23-11-18-20-21-23/h10-11H,3-9H2,1-2H3,(H,17,25)
InChIKeyCZKICYGGSIFXIB-UHFFFAOYSA-N
MW393.47 g/mol
LogP0.02
Rot. Bonds7

About N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-4-methoxy-1-[2-(tetrazol-1-yl)acetyl]piperidine-4-carboxamide

N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-4-methoxy-1-[2-(tetrazol-1-yl)acetyl]piperidine-4-carboxamide (PubChem CID 154570582) has the molecular formula C16H23N7O3S and a molecular weight of 393.47 g/mol. Its IUPAC name is N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-4-methoxy-1-[2-(tetrazol-1-yl)acetyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(4-ethyl-1,3-thiazol-2-yl)methyl]-4-methoxy-1-[2-(tetrazol-1-yl)acetyl]piperidine-4-carboxamide
PubChem CID154570582
Molecular FormulaC16H23N7O3S
Molecular Weight393.47 g/mol
Exact Mass393.16
IUPAC NameN-[(4-ethyl-1,3-thiazol-2-yl)methyl]-4-methoxy-1-[2-(tetrazol-1-yl)acetyl]piperidine-4-carboxamide
SMILESCCc1csc(CNC(=O)C2(OC)CCN(C(=O)Cn3cnnn3)CC2)n1
InChIInChI=1S/C16H23N7O3S/c1-3-12-10-27-13(19-12)8-17-15(25)16(26-2)4-6-22(7-5-16)14(24)9-23-11-18-20-21-23/h10-11H,3-9H2,1-2H3,(H,17,25)
InChIKeyCZKICYGGSIFXIB-UHFFFAOYSA-N
XLogP0.02
TPSA115.13 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.47
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-4-methoxy-1-[2-(tetrazol-1-yl)acetyl]piperidine-4-carboxamide?
The IUPAC name of N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-4-methoxy-1-[2-(tetrazol-1-yl)acetyl]piperidine-4-carboxamide (CID 154570582) is N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-4-methoxy-1-[2-(tetrazol-1-yl)acetyl]piperidine-4-carboxamide.
What is the SMILES notation for N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-4-methoxy-1-[2-(tetrazol-1-yl)acetyl]piperidine-4-carboxamide?
The canonical SMILES for N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-4-methoxy-1-[2-(tetrazol-1-yl)acetyl]piperidine-4-carboxamide is CCc1csc(CNC(=O)C2(OC)CCN(C(=O)Cn3cnnn3)CC2)n1.
What is the InChIKey of N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-4-methoxy-1-[2-(tetrazol-1-yl)acetyl]piperidine-4-carboxamide?
The InChIKey is CZKICYGGSIFXIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N7O3S/c1-3-12-10-27-13(19-12)8-17-15(25)16(26-2)4-6-22(7-5-16)14(24)9-23-11-18-20-21-23/h10-11H,3-9H2,1-2H3,(H,17,25).
What are the key properties of N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-4-methoxy-1-[2-(tetrazol-1-yl)acetyl]piperidine-4-carboxamide?
N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-4-methoxy-1-[2-(tetrazol-1-yl)acetyl]piperidine-4-carboxamide has a molecular weight of 393.47 g/mol, XLogP of 0.02, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-4-methoxy-1-[2-(tetrazol-1-yl)acetyl]piperidine-4-carboxamide is sourced from PubChem (CID 154570582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).