1-(4-aminopiperidin-1-yl)-3-(2-methyltetrazol-5-yl)propan-2-one

C10H18N6O — CID 107062291

IUPAC1-(4-aminopiperidin-1-yl)-3-(2-methyltetrazol-5-yl)propan-2-one
SMILESCn1nnc(CC(=O)CN2CCC(N)CC2)n1
InChIInChI=1S/C10H18N6O/c1-15-13-10(12-14-15)6-9(17)7-16-4-2-8(11)3-5-16/h8H,2-7,11H2,1H3
InChIKeySSTHYZDVLFXRPW-UHFFFAOYSA-N
MW238.29 g/mol
LogP-1.26
Rot. Bonds4

About 1-(4-aminopiperidin-1-yl)-3-(2-methyltetrazol-5-yl)propan-2-one

1-(4-aminopiperidin-1-yl)-3-(2-methyltetrazol-5-yl)propan-2-one (PubChem CID 107062291) has the molecular formula C10H18N6O and a molecular weight of 238.29 g/mol. Its IUPAC name is 1-(4-aminopiperidin-1-yl)-3-(2-methyltetrazol-5-yl)propan-2-one.

Molecular Properties

Compound Name1-(4-aminopiperidin-1-yl)-3-(2-methyltetrazol-5-yl)propan-2-one
PubChem CID107062291
Molecular FormulaC10H18N6O
Molecular Weight238.29 g/mol
Exact Mass238.15
IUPAC Name1-(4-aminopiperidin-1-yl)-3-(2-methyltetrazol-5-yl)propan-2-one
SMILESCn1nnc(CC(=O)CN2CCC(N)CC2)n1
InChIInChI=1S/C10H18N6O/c1-15-13-10(12-14-15)6-9(17)7-16-4-2-8(11)3-5-16/h8H,2-7,11H2,1H3
InChIKeySSTHYZDVLFXRPW-UHFFFAOYSA-N
XLogP-1.26
TPSA89.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 5-1.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-(4-aminopiperidin-1-yl)-3-(2-methyltetrazol-5-yl)propan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminopiperidin-1-yl)-3-(2-methyltetrazol-5-yl)propan-2-one?
The IUPAC name of 1-(4-aminopiperidin-1-yl)-3-(2-methyltetrazol-5-yl)propan-2-one (CID 107062291) is 1-(4-aminopiperidin-1-yl)-3-(2-methyltetrazol-5-yl)propan-2-one.
What is the SMILES notation for 1-(4-aminopiperidin-1-yl)-3-(2-methyltetrazol-5-yl)propan-2-one?
The canonical SMILES for 1-(4-aminopiperidin-1-yl)-3-(2-methyltetrazol-5-yl)propan-2-one is Cn1nnc(CC(=O)CN2CCC(N)CC2)n1.
What is the InChIKey of 1-(4-aminopiperidin-1-yl)-3-(2-methyltetrazol-5-yl)propan-2-one?
The InChIKey is SSTHYZDVLFXRPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N6O/c1-15-13-10(12-14-15)6-9(17)7-16-4-2-8(11)3-5-16/h8H,2-7,11H2,1H3.
What are the key properties of 1-(4-aminopiperidin-1-yl)-3-(2-methyltetrazol-5-yl)propan-2-one?
1-(4-aminopiperidin-1-yl)-3-(2-methyltetrazol-5-yl)propan-2-one has a molecular weight of 238.29 g/mol, XLogP of -1.26, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminopiperidin-1-yl)-3-(2-methyltetrazol-5-yl)propan-2-one is sourced from PubChem (CID 107062291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).