N-[2-(dimethylamino)ethyl]-1-(2-hydroxy-2-phenylethyl)piperidine-4-carboxamide

C18H29N3O2 — CID 110913208

IUPACN-[2-(dimethylamino)ethyl]-1-(2-hydroxy-2-phenylethyl)piperidine-4-carboxamide
SMILESCN(C)CCNC(=O)C1CCN(CC(O)c2ccccc2)CC1
InChIInChI=1S/C18H29N3O2/c1-20(2)13-10-19-18(23)16-8-11-21(12-9-16)14-17(22)15-6-4-3-5-7-15/h3-7,16-17,22H,8-14H2,1-2H3,(H,19,23)
InChIKeyIBYOXXOVKJIGCI-UHFFFAOYSA-N
MW319.45 g/mol
LogP1.11
Rot. Bonds7

About N-[2-(dimethylamino)ethyl]-1-(2-hydroxy-2-phenylethyl)piperidine-4-carboxamide

N-[2-(dimethylamino)ethyl]-1-(2-hydroxy-2-phenylethyl)piperidine-4-carboxamide (PubChem CID 110913208) has the molecular formula C18H29N3O2 and a molecular weight of 319.45 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-1-(2-hydroxy-2-phenylethyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-1-(2-hydroxy-2-phenylethyl)piperidine-4-carboxamide
PubChem CID110913208
Molecular FormulaC18H29N3O2
Molecular Weight319.45 g/mol
Exact Mass319.23
IUPAC NameN-[2-(dimethylamino)ethyl]-1-(2-hydroxy-2-phenylethyl)piperidine-4-carboxamide
SMILESCN(C)CCNC(=O)C1CCN(CC(O)c2ccccc2)CC1
InChIInChI=1S/C18H29N3O2/c1-20(2)13-10-19-18(23)16-8-11-21(12-9-16)14-17(22)15-6-4-3-5-7-15/h3-7,16-17,22H,8-14H2,1-2H3,(H,19,23)
InChIKeyIBYOXXOVKJIGCI-UHFFFAOYSA-N
XLogP1.11
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 1-(2-hydroxy-2-phenylethyl)piperidine-4-carboxylate
CID 60632376
1-[(2R)-2-hydroxy-2-phenylethyl]piperidine-4-carboxamide
CID 718707
1-[(2S)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-N-propylpiperidine-4-carboxamide
CID 94391399
1-[(2S)-2-hydroxy-2-phenylethyl]-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 37181625
N-[2-(dimethylamino)ethyl]-1-[[4-(hydroxymethyl)phenyl]methyl]piperidine-4-carboxamide
CID 110009397
1-(2,2-dimethylpropanoyl)-N-(3-hydroxy-3-phenylpropyl)piperidine-4-carboxamide
CID 111471638
1-[(2R)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-N-propylpiperidine-4-carboxamide
CID 52538350
N-(3-hydroxy-3-phenylpropyl)-4-methylcyclohexane-1-carboxamide
CID 111471611
1-[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]-N-methylpiperidine-4-carboxamide
CID 32657544
1-(2,2-diphenylethyl)-N-hydroxypiperidine-4-carboxamide
CID 155146350
(4-chlorophenyl)-[1-(2-hydroxy-2-phenylethyl)piperidin-4-yl]methanone
CID 110902032
1-N-[2-(dimethylamino)ethyl]-4-N-(2-fluorophenyl)cyclohexane-1,4-dicarboxamide
CID 109147107

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-1-(2-hydroxy-2-phenylethyl)piperidine-4-carboxamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-1-(2-hydroxy-2-phenylethyl)piperidine-4-carboxamide (CID 110913208) is N-[2-(dimethylamino)ethyl]-1-(2-hydroxy-2-phenylethyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-1-(2-hydroxy-2-phenylethyl)piperidine-4-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-1-(2-hydroxy-2-phenylethyl)piperidine-4-carboxamide is CN(C)CCNC(=O)C1CCN(CC(O)c2ccccc2)CC1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-1-(2-hydroxy-2-phenylethyl)piperidine-4-carboxamide?
The InChIKey is IBYOXXOVKJIGCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O2/c1-20(2)13-10-19-18(23)16-8-11-21(12-9-16)14-17(22)15-6-4-3-5-7-15/h3-7,16-17,22H,8-14H2,1-2H3,(H,19,23).
What are the key properties of N-[2-(dimethylamino)ethyl]-1-(2-hydroxy-2-phenylethyl)piperidine-4-carboxamide?
N-[2-(dimethylamino)ethyl]-1-(2-hydroxy-2-phenylethyl)piperidine-4-carboxamide has a molecular weight of 319.45 g/mol, XLogP of 1.11, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-1-(2-hydroxy-2-phenylethyl)piperidine-4-carboxamide is sourced from PubChem (CID 110913208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).