2,2,6,6-tetramethyl-1-(2-phenylethyl)-4-piperidin-1-ylpiperidine-4-carboxamide

C23H37N3O — CID 3039733

IUPAC2,2,6,6-tetramethyl-1-(2-phenylethyl)-4-piperidin-1-ylpiperidine-4-carboxamide
SMILESCC1(C)CC(C(N)=O)(N2CCCCC2)CC(C)(C)N1CCc1ccccc1
InChIInChI=1S/C23H37N3O/c1-21(2)17-23(20(24)27,25-14-9-6-10-15-25)18-22(3,4)26(21)16-13-19-11-7-5-8-12-19/h5,7-8,11-12H,6,9-10,13-18H2,1-4H3,(H2,24,27)
InChIKeyWZULONJCHUPBMM-UHFFFAOYSA-N
MW371.57 g/mol
LogP3.59
Rot. Bonds5

About 2,2,6,6-tetramethyl-1-(2-phenylethyl)-4-piperidin-1-ylpiperidine-4-carboxamide

2,2,6,6-tetramethyl-1-(2-phenylethyl)-4-piperidin-1-ylpiperidine-4-carboxamide (PubChem CID 3039733) has the molecular formula C23H37N3O and a molecular weight of 371.57 g/mol. Its IUPAC name is 2,2,6,6-tetramethyl-1-(2-phenylethyl)-4-piperidin-1-ylpiperidine-4-carboxamide.

Molecular Properties

Compound Name2,2,6,6-tetramethyl-1-(2-phenylethyl)-4-piperidin-1-ylpiperidine-4-carboxamide
PubChem CID3039733
Molecular FormulaC23H37N3O
Molecular Weight371.57 g/mol
Exact Mass371.29
IUPAC Name2,2,6,6-tetramethyl-1-(2-phenylethyl)-4-piperidin-1-ylpiperidine-4-carboxamide
SMILESCC1(C)CC(C(N)=O)(N2CCCCC2)CC(C)(C)N1CCc1ccccc1
InChIInChI=1S/C23H37N3O/c1-21(2)17-23(20(24)27,25-14-9-6-10-15-25)18-22(3,4)26(21)16-13-19-11-7-5-8-12-19/h5,7-8,11-12H,6,9-10,13-18H2,1-4H3,(H2,24,27)
InChIKeyWZULONJCHUPBMM-UHFFFAOYSA-N
XLogP3.59
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.57
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2,2,6,6-tetramethyl-1-(2-phenylethyl)-4-piperidin-1-ylpiperidine-4-carboxamide with MolForge

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Related Compounds

Piritramide
CID 9331
1-Benzyl-4-(isopropylamino)piperidine-4-carboxamide
CID 70573
1-Benzyl-4-carbamoyl-4-piperidinopiperidine
CID 74480
1-Benzyl-4-(methylamino)piperidine-4-carboxamide
CID 96411
1-Benzyl-4-(propylamino)piperidine-4-carboxamide
CID 70574
1-Benzyl-4-(ethylamino)piperidine-4-carboxamide
CID 70567
1-Benzyl-4-(cyclohexylamino)piperidine-4-carboxamide
CID 70584
1-Benzyl-4-(1-pyrrolidinyl)piperidine-4-carboxamide
CID 81582
1-[1-(5-methylhex-5-en-2-yl)piperidin-4-yl]-N-(2-phenylethyl)piperidine-4-carboxamide
CID 45210433
1'-(4-Fluorobenzyl)-1,4'-bipiperidine-4'-carboxamide
CID 1830278
2-(S)-Amino-4-phenethylamino-1-piperidin-1-yl-butan-1-one
CID 11437726
1'-[2,5-Dioxo-1-(2-phenylethyl)-3-pyrrolidinyl]-1,4'-bipiperidine-4'-carboxamide
CID 2884731

Frequently Asked Questions

What is the IUPAC name of 2,2,6,6-tetramethyl-1-(2-phenylethyl)-4-piperidin-1-ylpiperidine-4-carboxamide?
The IUPAC name of 2,2,6,6-tetramethyl-1-(2-phenylethyl)-4-piperidin-1-ylpiperidine-4-carboxamide (CID 3039733) is 2,2,6,6-tetramethyl-1-(2-phenylethyl)-4-piperidin-1-ylpiperidine-4-carboxamide.
What is the SMILES notation for 2,2,6,6-tetramethyl-1-(2-phenylethyl)-4-piperidin-1-ylpiperidine-4-carboxamide?
The canonical SMILES for 2,2,6,6-tetramethyl-1-(2-phenylethyl)-4-piperidin-1-ylpiperidine-4-carboxamide is CC1(C)CC(C(N)=O)(N2CCCCC2)CC(C)(C)N1CCc1ccccc1.
What is the InChIKey of 2,2,6,6-tetramethyl-1-(2-phenylethyl)-4-piperidin-1-ylpiperidine-4-carboxamide?
The InChIKey is WZULONJCHUPBMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H37N3O/c1-21(2)17-23(20(24)27,25-14-9-6-10-15-25)18-22(3,4)26(21)16-13-19-11-7-5-8-12-19/h5,7-8,11-12H,6,9-10,13-18H2,1-4H3,(H2,24,27).
What are the key properties of 2,2,6,6-tetramethyl-1-(2-phenylethyl)-4-piperidin-1-ylpiperidine-4-carboxamide?
2,2,6,6-tetramethyl-1-(2-phenylethyl)-4-piperidin-1-ylpiperidine-4-carboxamide has a molecular weight of 371.57 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,6,6-tetramethyl-1-(2-phenylethyl)-4-piperidin-1-ylpiperidine-4-carboxamide is sourced from PubChem (CID 3039733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).