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

C12H22N6O — CID 81043680

IUPAC3-piperidin-3-yl-N-[1-(2H-tetrazol-5-yl)ethyl]butanamide
SMILESCC(NC(=O)CC(C)C1CCCNC1)c1nn[nH]n1
InChIInChI=1S/C12H22N6O/c1-8(10-4-3-5-13-7-10)6-11(19)14-9(2)12-15-17-18-16-12/h8-10,13H,3-7H2,1-2H3,(H,14,19)(H,15,16,17,18)
InChIKeySVBSWQBBCUGCFA-UHFFFAOYSA-N
MW266.35 g/mol
LogP0.40
Rot. Bonds5

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

3-piperidin-3-yl-N-[1-(2H-tetrazol-5-yl)ethyl]butanamide (PubChem CID 81043680) has the molecular formula C12H22N6O and a molecular weight of 266.35 g/mol. Its IUPAC name is 3-piperidin-3-yl-N-[1-(2H-tetrazol-5-yl)ethyl]butanamide.

Molecular Properties

Compound Name3-piperidin-3-yl-N-[1-(2H-tetrazol-5-yl)ethyl]butanamide
PubChem CID81043680
Molecular FormulaC12H22N6O
Molecular Weight266.35 g/mol
Exact Mass266.19
IUPAC Name3-piperidin-3-yl-N-[1-(2H-tetrazol-5-yl)ethyl]butanamide
SMILESCC(NC(=O)CC(C)C1CCCNC1)c1nn[nH]n1
InChIInChI=1S/C12H22N6O/c1-8(10-4-3-5-13-7-10)6-11(19)14-9(2)12-15-17-18-16-12/h8-10,13H,3-7H2,1-2H3,(H,14,19)(H,15,16,17,18)
InChIKeySVBSWQBBCUGCFA-UHFFFAOYSA-N
XLogP0.40
TPSA95.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.35
LogP ≤ 50.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-piperidin-3-yl-N-[1-(2H-tetrazol-5-yl)ethyl]butanamide?
The IUPAC name of 3-piperidin-3-yl-N-[1-(2H-tetrazol-5-yl)ethyl]butanamide (CID 81043680) is 3-piperidin-3-yl-N-[1-(2H-tetrazol-5-yl)ethyl]butanamide.
What is the SMILES notation for 3-piperidin-3-yl-N-[1-(2H-tetrazol-5-yl)ethyl]butanamide?
The canonical SMILES for 3-piperidin-3-yl-N-[1-(2H-tetrazol-5-yl)ethyl]butanamide is CC(NC(=O)CC(C)C1CCCNC1)c1nn[nH]n1.
What is the InChIKey of 3-piperidin-3-yl-N-[1-(2H-tetrazol-5-yl)ethyl]butanamide?
The InChIKey is SVBSWQBBCUGCFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N6O/c1-8(10-4-3-5-13-7-10)6-11(19)14-9(2)12-15-17-18-16-12/h8-10,13H,3-7H2,1-2H3,(H,14,19)(H,15,16,17,18).
What are the key properties of 3-piperidin-3-yl-N-[1-(2H-tetrazol-5-yl)ethyl]butanamide?
3-piperidin-3-yl-N-[1-(2H-tetrazol-5-yl)ethyl]butanamide has a molecular weight of 266.35 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-3-yl-N-[1-(2H-tetrazol-5-yl)ethyl]butanamide is sourced from PubChem (CID 81043680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).