(2R)-N-[[2-(dimethylamino)-4-methylphenyl]methyl]-2-(2-hydroxyethyl)piperidine-1-carboxamide

C18H29N3O2 — CID 99851395

IUPAC(2R)-N-[[2-(dimethylamino)-4-methylphenyl]methyl]-2-(2-hydroxyethyl)piperidine-1-carboxamide
SMILESCc1ccc(CNC(=O)N2CCCC[C@@H]2CCO)c(N(C)C)c1
InChIInChI=1S/C18H29N3O2/c1-14-7-8-15(17(12-14)20(2)3)13-19-18(23)21-10-5-4-6-16(21)9-11-22/h7-8,12,16,22H,4-6,9-11,13H2,1-3H3,(H,19,23)/t16-/m1/s1
InChIKeyVBKPLGHABTZOSM-MRXNPFEDSA-N
MW319.45 g/mol
LogP2.51
Rot. Bonds5

About (2R)-N-[[2-(dimethylamino)-4-methylphenyl]methyl]-2-(2-hydroxyethyl)piperidine-1-carboxamide

(2R)-N-[[2-(dimethylamino)-4-methylphenyl]methyl]-2-(2-hydroxyethyl)piperidine-1-carboxamide (PubChem CID 99851395) has the molecular formula C18H29N3O2 and a molecular weight of 319.45 g/mol. Its IUPAC name is (2R)-N-[[2-(dimethylamino)-4-methylphenyl]methyl]-2-(2-hydroxyethyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name(2R)-N-[[2-(dimethylamino)-4-methylphenyl]methyl]-2-(2-hydroxyethyl)piperidine-1-carboxamide
PubChem CID99851395
Molecular FormulaC18H29N3O2
Molecular Weight319.45 g/mol
Exact Mass319.23
IUPAC Name(2R)-N-[[2-(dimethylamino)-4-methylphenyl]methyl]-2-(2-hydroxyethyl)piperidine-1-carboxamide
SMILESCc1ccc(CNC(=O)N2CCCC[C@@H]2CCO)c(N(C)C)c1
InChIInChI=1S/C18H29N3O2/c1-14-7-8-15(17(12-14)20(2)3)13-19-18(23)21-10-5-4-6-16(21)9-11-22/h7-8,12,16,22H,4-6,9-11,13H2,1-3H3,(H,19,23)/t16-/m1/s1
InChIKeyVBKPLGHABTZOSM-MRXNPFEDSA-N
XLogP2.51
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-hydroxyethyl)-N-[(3-methylphenyl)methyl]piperidine-1-carboxamide
CID 108898255
(2S)-2-(2-hydroxyethyl)-N-[2-(4-methylphenyl)ethyl]piperidine-1-carboxamide
CID 124670162
(2S)-2-(2-hydroxyethyl)-N-[(2-propoxyphenyl)methyl]piperidine-1-carboxamide
CID 125444999
2-(2-hydroxyethyl)-N-[(2-propoxyphenyl)methyl]piperidine-1-carboxamide
CID 122568396
(3R)-N-[[2-(dimethylamino)-4-methylphenyl]methyl]-3-[(1S)-1-hydroxyethyl]pyrrolidine-1-carboxamide
CID 99777395
N-[(3-fluorophenyl)methyl]-2-(2-hydroxyethyl)piperidine-1-carboxamide
CID 108898597
(3S)-N-[[2-(dimethylamino)-4-methylphenyl]methyl]-3-[(1R)-1-hydroxyethyl]pyrrolidine-1-carboxamide
CID 99777392
(2R)-N-[(4-methylphenyl)methyl]-2-(2-pyrrolidin-1-ylethyl)piperidine-1-carboxamide
CID 95728102
N-[(4-methylphenyl)methyl]-2-(2-pyrrolidin-1-ylethyl)piperidine-1-carboxamide
CID 56914375
1-[2-(2-hydroxyethyl)piperidin-1-yl]-2-(4-methylphenyl)ethane-1,2-dione
CID 110886980
(2S)-N-[2-(2,4-dimethylphenyl)ethyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 111428098
N-[(3,4-dimethylphenoxy)methyl]-2-(2-hydroxyethyl)piperidine-1-carboxamide
CID 108879278

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[[2-(dimethylamino)-4-methylphenyl]methyl]-2-(2-hydroxyethyl)piperidine-1-carboxamide?
The IUPAC name of (2R)-N-[[2-(dimethylamino)-4-methylphenyl]methyl]-2-(2-hydroxyethyl)piperidine-1-carboxamide (CID 99851395) is (2R)-N-[[2-(dimethylamino)-4-methylphenyl]methyl]-2-(2-hydroxyethyl)piperidine-1-carboxamide.
What is the SMILES notation for (2R)-N-[[2-(dimethylamino)-4-methylphenyl]methyl]-2-(2-hydroxyethyl)piperidine-1-carboxamide?
The canonical SMILES for (2R)-N-[[2-(dimethylamino)-4-methylphenyl]methyl]-2-(2-hydroxyethyl)piperidine-1-carboxamide is Cc1ccc(CNC(=O)N2CCCC[C@@H]2CCO)c(N(C)C)c1.
What is the InChIKey of (2R)-N-[[2-(dimethylamino)-4-methylphenyl]methyl]-2-(2-hydroxyethyl)piperidine-1-carboxamide?
The InChIKey is VBKPLGHABTZOSM-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H29N3O2/c1-14-7-8-15(17(12-14)20(2)3)13-19-18(23)21-10-5-4-6-16(21)9-11-22/h7-8,12,16,22H,4-6,9-11,13H2,1-3H3,(H,19,23)/t16-/m1/s1.
What are the key properties of (2R)-N-[[2-(dimethylamino)-4-methylphenyl]methyl]-2-(2-hydroxyethyl)piperidine-1-carboxamide?
(2R)-N-[[2-(dimethylamino)-4-methylphenyl]methyl]-2-(2-hydroxyethyl)piperidine-1-carboxamide has a molecular weight of 319.45 g/mol, XLogP of 2.51, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[[2-(dimethylamino)-4-methylphenyl]methyl]-2-(2-hydroxyethyl)piperidine-1-carboxamide is sourced from PubChem (CID 99851395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).