(4-aminopiperidin-4-yl)-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]methanone

C17H31N7O — CID 70747482

IUPAC(4-aminopiperidin-4-yl)-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]methanone
SMILESCN(C)Cc1nnc(C2CCCN(C(=O)C3(N)CCNCC3)C2)n1C
InChIInChI=1S/C17H31N7O/c1-22(2)12-14-20-21-15(23(14)3)13-5-4-10-24(11-13)16(25)17(18)6-8-19-9-7-17/h13,19H,4-12,18H2,1-3H3
InChIKeyVPEIBEOWWMYSHB-UHFFFAOYSA-N
MW349.48 g/mol
LogP-0.34
Rot. Bonds4

About (4-aminopiperidin-4-yl)-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]methanone

(4-aminopiperidin-4-yl)-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]methanone (PubChem CID 70747482) has the molecular formula C17H31N7O and a molecular weight of 349.48 g/mol. Its IUPAC name is (4-aminopiperidin-4-yl)-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-aminopiperidin-4-yl)-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]methanone
PubChem CID70747482
Molecular FormulaC17H31N7O
Molecular Weight349.48 g/mol
Exact Mass349.26
IUPAC Name(4-aminopiperidin-4-yl)-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]methanone
SMILESCN(C)Cc1nnc(C2CCCN(C(=O)C3(N)CCNCC3)C2)n1C
InChIInChI=1S/C17H31N7O/c1-22(2)12-14-20-21-15(23(14)3)13-5-4-10-24(11-13)16(25)17(18)6-8-19-9-7-17/h13,19H,4-12,18H2,1-3H3
InChIKeyVPEIBEOWWMYSHB-UHFFFAOYSA-N
XLogP-0.34
TPSA92.31 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 5-0.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze (4-aminopiperidin-4-yl)-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]methanone 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 (4-aminopiperidin-4-yl)-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]methanone?
The IUPAC name of (4-aminopiperidin-4-yl)-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]methanone (CID 70747482) is (4-aminopiperidin-4-yl)-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]methanone.
What is the SMILES notation for (4-aminopiperidin-4-yl)-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]methanone?
The canonical SMILES for (4-aminopiperidin-4-yl)-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]methanone is CN(C)Cc1nnc(C2CCCN(C(=O)C3(N)CCNCC3)C2)n1C.
What is the InChIKey of (4-aminopiperidin-4-yl)-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]methanone?
The InChIKey is VPEIBEOWWMYSHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N7O/c1-22(2)12-14-20-21-15(23(14)3)13-5-4-10-24(11-13)16(25)17(18)6-8-19-9-7-17/h13,19H,4-12,18H2,1-3H3.
What are the key properties of (4-aminopiperidin-4-yl)-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]methanone?
(4-aminopiperidin-4-yl)-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]methanone has a molecular weight of 349.48 g/mol, XLogP of -0.34, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminopiperidin-4-yl)-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 70747482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).