3-piperidin-4-yl-N-(2H-tetrazol-5-ylmethyl)propanamide

C10H18N6O — CID 55047691

IUPAC3-piperidin-4-yl-N-(2H-tetrazol-5-ylmethyl)propanamide
SMILESO=C(CCC1CCNCC1)NCc1nn[nH]n1
InChIInChI=1S/C10H18N6O/c17-10(12-7-9-13-15-16-14-9)2-1-8-3-5-11-6-4-8/h8,11H,1-7H2,(H,12,17)(H,13,14,15,16)
InChIKeyGTYQTGLTTHFVQZ-UHFFFAOYSA-N
MW238.29 g/mol
LogP-0.40
Rot. Bonds5

About 3-piperidin-4-yl-N-(2H-tetrazol-5-ylmethyl)propanamide

3-piperidin-4-yl-N-(2H-tetrazol-5-ylmethyl)propanamide (PubChem CID 55047691) has the molecular formula C10H18N6O and a molecular weight of 238.29 g/mol. Its IUPAC name is 3-piperidin-4-yl-N-(2H-tetrazol-5-ylmethyl)propanamide.

Molecular Properties

Compound Name3-piperidin-4-yl-N-(2H-tetrazol-5-ylmethyl)propanamide
PubChem CID55047691
Molecular FormulaC10H18N6O
Molecular Weight238.29 g/mol
Exact Mass238.15
IUPAC Name3-piperidin-4-yl-N-(2H-tetrazol-5-ylmethyl)propanamide
SMILESO=C(CCC1CCNCC1)NCc1nn[nH]n1
InChIInChI=1S/C10H18N6O/c17-10(12-7-9-13-15-16-14-9)2-1-8-3-5-11-6-4-8/h8,11H,1-7H2,(H,12,17)(H,13,14,15,16)
InChIKeyGTYQTGLTTHFVQZ-UHFFFAOYSA-N
XLogP-0.40
TPSA95.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 5-0.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-piperidin-4-yl-N-(2H-tetrazol-5-ylmethyl)propanamide?
The IUPAC name of 3-piperidin-4-yl-N-(2H-tetrazol-5-ylmethyl)propanamide (CID 55047691) is 3-piperidin-4-yl-N-(2H-tetrazol-5-ylmethyl)propanamide.
What is the SMILES notation for 3-piperidin-4-yl-N-(2H-tetrazol-5-ylmethyl)propanamide?
The canonical SMILES for 3-piperidin-4-yl-N-(2H-tetrazol-5-ylmethyl)propanamide is O=C(CCC1CCNCC1)NCc1nn[nH]n1.
What is the InChIKey of 3-piperidin-4-yl-N-(2H-tetrazol-5-ylmethyl)propanamide?
The InChIKey is GTYQTGLTTHFVQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N6O/c17-10(12-7-9-13-15-16-14-9)2-1-8-3-5-11-6-4-8/h8,11H,1-7H2,(H,12,17)(H,13,14,15,16).
What are the key properties of 3-piperidin-4-yl-N-(2H-tetrazol-5-ylmethyl)propanamide?
3-piperidin-4-yl-N-(2H-tetrazol-5-ylmethyl)propanamide has a molecular weight of 238.29 g/mol, XLogP of -0.40, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperidin-4-yl-N-(2H-tetrazol-5-ylmethyl)propanamide is sourced from PubChem (CID 55047691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).