3-piperidin-4-yl-N-[1-(2H-tetrazol-5-yl)ethyl]propanamide

C11H20N6O — CID 62211480

IUPAC3-piperidin-4-yl-N-[1-(2H-tetrazol-5-yl)ethyl]propanamide
SMILESCC(NC(=O)CCC1CCNCC1)c1nn[nH]n1
InChIInChI=1S/C11H20N6O/c1-8(11-14-16-17-15-11)13-10(18)3-2-9-4-6-12-7-5-9/h8-9,12H,2-7H2,1H3,(H,13,18)(H,14,15,16,17)
InChIKeyKHGFSDIVTQAWAQ-UHFFFAOYSA-N
MW252.32 g/mol
LogP0.16
Rot. Bonds5

About 3-piperidin-4-yl-N-[1-(2H-tetrazol-5-yl)ethyl]propanamide

3-piperidin-4-yl-N-[1-(2H-tetrazol-5-yl)ethyl]propanamide (PubChem CID 62211480) has the molecular formula C11H20N6O and a molecular weight of 252.32 g/mol. Its IUPAC name is 3-piperidin-4-yl-N-[1-(2H-tetrazol-5-yl)ethyl]propanamide.

Molecular Properties

Compound Name3-piperidin-4-yl-N-[1-(2H-tetrazol-5-yl)ethyl]propanamide
PubChem CID62211480
Molecular FormulaC11H20N6O
Molecular Weight252.32 g/mol
Exact Mass252.17
IUPAC Name3-piperidin-4-yl-N-[1-(2H-tetrazol-5-yl)ethyl]propanamide
SMILESCC(NC(=O)CCC1CCNCC1)c1nn[nH]n1
InChIInChI=1S/C11H20N6O/c1-8(11-14-16-17-15-11)13-10(18)3-2-9-4-6-12-7-5-9/h8-9,12H,2-7H2,1H3,(H,13,18)(H,14,15,16,17)
InChIKeyKHGFSDIVTQAWAQ-UHFFFAOYSA-N
XLogP0.16
TPSA95.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 50.16
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-[1-(2H-tetrazol-5-yl)ethyl]propanamide?
The IUPAC name of 3-piperidin-4-yl-N-[1-(2H-tetrazol-5-yl)ethyl]propanamide (CID 62211480) is 3-piperidin-4-yl-N-[1-(2H-tetrazol-5-yl)ethyl]propanamide.
What is the SMILES notation for 3-piperidin-4-yl-N-[1-(2H-tetrazol-5-yl)ethyl]propanamide?
The canonical SMILES for 3-piperidin-4-yl-N-[1-(2H-tetrazol-5-yl)ethyl]propanamide is CC(NC(=O)CCC1CCNCC1)c1nn[nH]n1.
What is the InChIKey of 3-piperidin-4-yl-N-[1-(2H-tetrazol-5-yl)ethyl]propanamide?
The InChIKey is KHGFSDIVTQAWAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N6O/c1-8(11-14-16-17-15-11)13-10(18)3-2-9-4-6-12-7-5-9/h8-9,12H,2-7H2,1H3,(H,13,18)(H,14,15,16,17).
What are the key properties of 3-piperidin-4-yl-N-[1-(2H-tetrazol-5-yl)ethyl]propanamide?
3-piperidin-4-yl-N-[1-(2H-tetrazol-5-yl)ethyl]propanamide has a molecular weight of 252.32 g/mol, XLogP of 0.16, 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-[1-(2H-tetrazol-5-yl)ethyl]propanamide is sourced from PubChem (CID 62211480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).