2-(4-cyanopiperidin-1-yl)-N-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]acetamide

C12H21N3O — CID 170549393

IUPAC2-(4-cyanopiperidin-1-yl)-N-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]acetamide
SMILES[2H]C([2H])([2H])C(NC(=O)CN1CCC(C#N)CC1)(C([2H])([2H])[2H])C([2H])([2H])[2H]
InChIInChI=1S/C12H21N3O/c1-12(2,3)14-11(16)9-15-6-4-10(8-13)5-7-15/h10H,4-7,9H2,1-3H3,(H,14,16)/i1D3,2D3,3D3
InChIKeyYJPNUFUZDZWBFG-GQALSZNTSA-N
MW232.37 g/mol
LogP1.14
Rot. Bonds2

About 2-(4-cyanopiperidin-1-yl)-N-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]acetamide

2-(4-cyanopiperidin-1-yl)-N-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]acetamide (PubChem CID 170549393) has the molecular formula C12H21N3O and a molecular weight of 232.37 g/mol. Its IUPAC name is 2-(4-cyanopiperidin-1-yl)-N-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]acetamide.

Molecular Properties

Compound Name2-(4-cyanopiperidin-1-yl)-N-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]acetamide
PubChem CID170549393
Molecular FormulaC12H21N3O
Molecular Weight232.37 g/mol
Exact Mass232.22
IUPAC Name2-(4-cyanopiperidin-1-yl)-N-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]acetamide
SMILES[2H]C([2H])([2H])C(NC(=O)CN1CCC(C#N)CC1)(C([2H])([2H])[2H])C([2H])([2H])[2H]
InChIInChI=1S/C12H21N3O/c1-12(2,3)14-11(16)9-15-6-4-10(8-13)5-7-15/h10H,4-7,9H2,1-3H3,(H,14,16)/i1D3,2D3,3D3
InChIKeyYJPNUFUZDZWBFG-GQALSZNTSA-N
XLogP1.14
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(4-cyanopiperidin-1-yl)-N-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]acetamide with MolForge

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

Launch Full Analysis

Related Compounds

CID 59303846
CID 59303846
N-carbamoyl-2-(4-cyanopiperidin-1-yl)acetamide
CID 48940889
2-[4-(aminomethyl)piperidin-1-yl]-2,2-dideuterio-N-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]acetamide
CID 170549396
2-(4-aminopiperidin-1-yl)-N-tert-butylacetamide;dihydrochloride
CID 56773517
2-[4-(2-aminoethoxy)piperidin-1-yl]-N-tert-butylacetamide
CID 82693750
2-(4-cyanopiperidin-1-yl)-N-phenylacetamide
CID 48940732
2-[4-(3-aminopropoxy)piperidin-1-yl]-N-tert-butylacetamide
CID 79737359
2-(4-cyanopiperidin-1-yl)-N-methyl-N-propan-2-ylacetamide
CID 48966293
2-[4-[2-(tert-butylamino)-2-oxoethyl]-7,10-bis(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid;yttrium
CID 59282721
2-(azepan-1-yl)-N-tert-butylacetamide
CID 18877375
2-[(3S)-3-aminopyrrolidin-1-yl]-N-tert-butylacetamide
CID 81492142
methyl 3-(4-cyanopiperidin-1-yl)propanoate
CID 62077331

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyanopiperidin-1-yl)-N-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]acetamide?
The IUPAC name of 2-(4-cyanopiperidin-1-yl)-N-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]acetamide (CID 170549393) is 2-(4-cyanopiperidin-1-yl)-N-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]acetamide.
What is the SMILES notation for 2-(4-cyanopiperidin-1-yl)-N-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]acetamide?
The canonical SMILES for 2-(4-cyanopiperidin-1-yl)-N-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]acetamide is [2H]C([2H])([2H])C(NC(=O)CN1CCC(C#N)CC1)(C([2H])([2H])[2H])C([2H])([2H])[2H].
What is the InChIKey of 2-(4-cyanopiperidin-1-yl)-N-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]acetamide?
The InChIKey is YJPNUFUZDZWBFG-GQALSZNTSA-N. The full InChI is InChI=1S/C12H21N3O/c1-12(2,3)14-11(16)9-15-6-4-10(8-13)5-7-15/h10H,4-7,9H2,1-3H3,(H,14,16)/i1D3,2D3,3D3.
What are the key properties of 2-(4-cyanopiperidin-1-yl)-N-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]acetamide?
2-(4-cyanopiperidin-1-yl)-N-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]acetamide has a molecular weight of 232.37 g/mol, XLogP of 1.14, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyanopiperidin-1-yl)-N-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]acetamide is sourced from PubChem (CID 170549393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).