(Z)-3-(4-amino-2,2,6,6-tetramethylpiperidin-1-yl)-N-benzyl-2-cyano-N-propan-2-ylprop-2-enamide

C23H34N4O — CID 108829998

IUPAC(Z)-3-(4-amino-2,2,6,6-tetramethylpiperidin-1-yl)-N-benzyl-2-cyano-N-propan-2-ylprop-2-enamide
SMILESCC(C)N(Cc1ccccc1)C(=O)/C(C#N)=C\N1C(C)(C)CC(N)CC1(C)C
InChIInChI=1S/C23H34N4O/c1-17(2)26(15-18-10-8-7-9-11-18)21(28)19(14-24)16-27-22(3,4)12-20(25)13-23(27,5)6/h7-11,16-17,20H,12-13,15,25H2,1-6H3/b19-16-
InChIKeyLLOGRSYKDNNTQC-MNDPQUGUSA-N
MW382.55 g/mol
LogP3.81
Rot. Bonds5

About (Z)-3-(4-amino-2,2,6,6-tetramethylpiperidin-1-yl)-N-benzyl-2-cyano-N-propan-2-ylprop-2-enamide

(Z)-3-(4-amino-2,2,6,6-tetramethylpiperidin-1-yl)-N-benzyl-2-cyano-N-propan-2-ylprop-2-enamide (PubChem CID 108829998) has the molecular formula C23H34N4O and a molecular weight of 382.55 g/mol. Its IUPAC name is (Z)-3-(4-amino-2,2,6,6-tetramethylpiperidin-1-yl)-N-benzyl-2-cyano-N-propan-2-ylprop-2-enamide.

Molecular Properties

Compound Name(Z)-3-(4-amino-2,2,6,6-tetramethylpiperidin-1-yl)-N-benzyl-2-cyano-N-propan-2-ylprop-2-enamide
PubChem CID108829998
Molecular FormulaC23H34N4O
Molecular Weight382.55 g/mol
Exact Mass382.27
IUPAC Name(Z)-3-(4-amino-2,2,6,6-tetramethylpiperidin-1-yl)-N-benzyl-2-cyano-N-propan-2-ylprop-2-enamide
SMILESCC(C)N(Cc1ccccc1)C(=O)/C(C#N)=C\N1C(C)(C)CC(N)CC1(C)C
InChIInChI=1S/C23H34N4O/c1-17(2)26(15-18-10-8-7-9-11-18)21(28)19(14-24)16-27-22(3,4)12-20(25)13-23(27,5)6/h7-11,16-17,20H,12-13,15,25H2,1-6H3/b19-16-
InChIKeyLLOGRSYKDNNTQC-MNDPQUGUSA-N
XLogP3.81
TPSA73.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.55
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-3-(4-amino-2,2,6,6-tetramethylpiperidin-1-yl)-N-benzyl-2-cyano-N-propan-2-ylprop-2-enamide?
The IUPAC name of (Z)-3-(4-amino-2,2,6,6-tetramethylpiperidin-1-yl)-N-benzyl-2-cyano-N-propan-2-ylprop-2-enamide (CID 108829998) is (Z)-3-(4-amino-2,2,6,6-tetramethylpiperidin-1-yl)-N-benzyl-2-cyano-N-propan-2-ylprop-2-enamide.
What is the SMILES notation for (Z)-3-(4-amino-2,2,6,6-tetramethylpiperidin-1-yl)-N-benzyl-2-cyano-N-propan-2-ylprop-2-enamide?
The canonical SMILES for (Z)-3-(4-amino-2,2,6,6-tetramethylpiperidin-1-yl)-N-benzyl-2-cyano-N-propan-2-ylprop-2-enamide is CC(C)N(Cc1ccccc1)C(=O)/C(C#N)=C\N1C(C)(C)CC(N)CC1(C)C.
What is the InChIKey of (Z)-3-(4-amino-2,2,6,6-tetramethylpiperidin-1-yl)-N-benzyl-2-cyano-N-propan-2-ylprop-2-enamide?
The InChIKey is LLOGRSYKDNNTQC-MNDPQUGUSA-N. The full InChI is InChI=1S/C23H34N4O/c1-17(2)26(15-18-10-8-7-9-11-18)21(28)19(14-24)16-27-22(3,4)12-20(25)13-23(27,5)6/h7-11,16-17,20H,12-13,15,25H2,1-6H3/b19-16-.
What are the key properties of (Z)-3-(4-amino-2,2,6,6-tetramethylpiperidin-1-yl)-N-benzyl-2-cyano-N-propan-2-ylprop-2-enamide?
(Z)-3-(4-amino-2,2,6,6-tetramethylpiperidin-1-yl)-N-benzyl-2-cyano-N-propan-2-ylprop-2-enamide has a molecular weight of 382.55 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(4-amino-2,2,6,6-tetramethylpiperidin-1-yl)-N-benzyl-2-cyano-N-propan-2-ylprop-2-enamide is sourced from PubChem (CID 108829998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).