1-[1-[3-(tetrazol-1-yl)thiophene-2-carbonyl]piperidin-4-yl]imidazolidin-2-one

C14H17N7O2S — CID 56816838

IUPAC1-[1-[3-(tetrazol-1-yl)thiophene-2-carbonyl]piperidin-4-yl]imidazolidin-2-one
SMILESO=C(c1sccc1-n1cnnn1)N1CCC(N2CCNC2=O)CC1
InChIInChI=1S/C14H17N7O2S/c22-13(12-11(3-8-24-12)21-9-16-17-18-21)19-5-1-10(2-6-19)20-7-4-15-14(20)23/h3,8-10H,1-2,4-7H2,(H,15,23)
InChIKeySRAATVUMNBXFSB-UHFFFAOYSA-N
MW347.40 g/mol
LogP0.35
Rot. Bonds3

About 1-[1-[3-(tetrazol-1-yl)thiophene-2-carbonyl]piperidin-4-yl]imidazolidin-2-one

1-[1-[3-(tetrazol-1-yl)thiophene-2-carbonyl]piperidin-4-yl]imidazolidin-2-one (PubChem CID 56816838) has the molecular formula C14H17N7O2S and a molecular weight of 347.40 g/mol. Its IUPAC name is 1-[1-[3-(tetrazol-1-yl)thiophene-2-carbonyl]piperidin-4-yl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[1-[3-(tetrazol-1-yl)thiophene-2-carbonyl]piperidin-4-yl]imidazolidin-2-one
PubChem CID56816838
Molecular FormulaC14H17N7O2S
Molecular Weight347.40 g/mol
Exact Mass347.12
IUPAC Name1-[1-[3-(tetrazol-1-yl)thiophene-2-carbonyl]piperidin-4-yl]imidazolidin-2-one
SMILESO=C(c1sccc1-n1cnnn1)N1CCC(N2CCNC2=O)CC1
InChIInChI=1S/C14H17N7O2S/c22-13(12-11(3-8-24-12)21-9-16-17-18-21)19-5-1-10(2-6-19)20-7-4-15-14(20)23/h3,8-10H,1-2,4-7H2,(H,15,23)
InChIKeySRAATVUMNBXFSB-UHFFFAOYSA-N
XLogP0.35
TPSA96.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.40
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[3-(tetrazol-1-yl)thiophene-2-carbonyl]piperidin-4-yl]imidazolidin-2-one?
The IUPAC name of 1-[1-[3-(tetrazol-1-yl)thiophene-2-carbonyl]piperidin-4-yl]imidazolidin-2-one (CID 56816838) is 1-[1-[3-(tetrazol-1-yl)thiophene-2-carbonyl]piperidin-4-yl]imidazolidin-2-one.
What is the SMILES notation for 1-[1-[3-(tetrazol-1-yl)thiophene-2-carbonyl]piperidin-4-yl]imidazolidin-2-one?
The canonical SMILES for 1-[1-[3-(tetrazol-1-yl)thiophene-2-carbonyl]piperidin-4-yl]imidazolidin-2-one is O=C(c1sccc1-n1cnnn1)N1CCC(N2CCNC2=O)CC1.
What is the InChIKey of 1-[1-[3-(tetrazol-1-yl)thiophene-2-carbonyl]piperidin-4-yl]imidazolidin-2-one?
The InChIKey is SRAATVUMNBXFSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N7O2S/c22-13(12-11(3-8-24-12)21-9-16-17-18-21)19-5-1-10(2-6-19)20-7-4-15-14(20)23/h3,8-10H,1-2,4-7H2,(H,15,23).
What are the key properties of 1-[1-[3-(tetrazol-1-yl)thiophene-2-carbonyl]piperidin-4-yl]imidazolidin-2-one?
1-[1-[3-(tetrazol-1-yl)thiophene-2-carbonyl]piperidin-4-yl]imidazolidin-2-one has a molecular weight of 347.40 g/mol, XLogP of 0.35, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[3-(tetrazol-1-yl)thiophene-2-carbonyl]piperidin-4-yl]imidazolidin-2-one is sourced from PubChem (CID 56816838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).