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

C12H22N6O — CID 83199623

IUPAC2-methyl-2-piperidin-3-yl-N-[1-(2H-tetrazol-5-yl)ethyl]propanamide
SMILESCC(NC(=O)C(C)(C)C1CCCNC1)c1nn[nH]n1
InChIInChI=1S/C12H22N6O/c1-8(10-15-17-18-16-10)14-11(19)12(2,3)9-5-4-6-13-7-9/h8-9,13H,4-7H2,1-3H3,(H,14,19)(H,15,16,17,18)
InChIKeyDOGPFLWDSVNVAV-UHFFFAOYSA-N
MW266.35 g/mol
LogP0.40
Rot. Bonds4

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

2-methyl-2-piperidin-3-yl-N-[1-(2H-tetrazol-5-yl)ethyl]propanamide (PubChem CID 83199623) has the molecular formula C12H22N6O and a molecular weight of 266.35 g/mol. Its IUPAC name is 2-methyl-2-piperidin-3-yl-N-[1-(2H-tetrazol-5-yl)ethyl]propanamide.

Molecular Properties

Compound Name2-methyl-2-piperidin-3-yl-N-[1-(2H-tetrazol-5-yl)ethyl]propanamide
PubChem CID83199623
Molecular FormulaC12H22N6O
Molecular Weight266.35 g/mol
Exact Mass266.19
IUPAC Name2-methyl-2-piperidin-3-yl-N-[1-(2H-tetrazol-5-yl)ethyl]propanamide
SMILESCC(NC(=O)C(C)(C)C1CCCNC1)c1nn[nH]n1
InChIInChI=1S/C12H22N6O/c1-8(10-15-17-18-16-10)14-11(19)12(2,3)9-5-4-6-13-7-9/h8-9,13H,4-7H2,1-3H3,(H,14,19)(H,15,16,17,18)
InChIKeyDOGPFLWDSVNVAV-UHFFFAOYSA-N
XLogP0.40
TPSA95.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
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 2-methyl-2-piperidin-3-yl-N-[1-(2H-tetrazol-5-yl)ethyl]propanamide?
The IUPAC name of 2-methyl-2-piperidin-3-yl-N-[1-(2H-tetrazol-5-yl)ethyl]propanamide (CID 83199623) is 2-methyl-2-piperidin-3-yl-N-[1-(2H-tetrazol-5-yl)ethyl]propanamide.
What is the SMILES notation for 2-methyl-2-piperidin-3-yl-N-[1-(2H-tetrazol-5-yl)ethyl]propanamide?
The canonical SMILES for 2-methyl-2-piperidin-3-yl-N-[1-(2H-tetrazol-5-yl)ethyl]propanamide is CC(NC(=O)C(C)(C)C1CCCNC1)c1nn[nH]n1.
What is the InChIKey of 2-methyl-2-piperidin-3-yl-N-[1-(2H-tetrazol-5-yl)ethyl]propanamide?
The InChIKey is DOGPFLWDSVNVAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N6O/c1-8(10-15-17-18-16-10)14-11(19)12(2,3)9-5-4-6-13-7-9/h8-9,13H,4-7H2,1-3H3,(H,14,19)(H,15,16,17,18).
What are the key properties of 2-methyl-2-piperidin-3-yl-N-[1-(2H-tetrazol-5-yl)ethyl]propanamide?
2-methyl-2-piperidin-3-yl-N-[1-(2H-tetrazol-5-yl)ethyl]propanamide has a molecular weight of 266.35 g/mol, XLogP of 0.40, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-piperidin-3-yl-N-[1-(2H-tetrazol-5-yl)ethyl]propanamide is sourced from PubChem (CID 83199623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).