N-[2-(dimethylamino)-2-phenylethyl]-2-ethylpiperidine-1-carboxamide

C18H29N3O — CID 86999382

IUPACN-[2-(dimethylamino)-2-phenylethyl]-2-ethylpiperidine-1-carboxamide
SMILESCCC1CCCCN1C(=O)NCC(c1ccccc1)N(C)C
InChIInChI=1S/C18H29N3O/c1-4-16-12-8-9-13-21(16)18(22)19-14-17(20(2)3)15-10-6-5-7-11-15/h5-7,10-11,16-17H,4,8-9,12-14H2,1-3H3,(H,19,22)
InChIKeyVUBCCYGPYLCPEN-UHFFFAOYSA-N
MW303.45 g/mol
LogP3.26
Rot. Bonds5

About N-[2-(dimethylamino)-2-phenylethyl]-2-ethylpiperidine-1-carboxamide

N-[2-(dimethylamino)-2-phenylethyl]-2-ethylpiperidine-1-carboxamide (PubChem CID 86999382) has the molecular formula C18H29N3O and a molecular weight of 303.45 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-phenylethyl]-2-ethylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-phenylethyl]-2-ethylpiperidine-1-carboxamide
PubChem CID86999382
Molecular FormulaC18H29N3O
Molecular Weight303.45 g/mol
Exact Mass303.23
IUPAC NameN-[2-(dimethylamino)-2-phenylethyl]-2-ethylpiperidine-1-carboxamide
SMILESCCC1CCCCN1C(=O)NCC(c1ccccc1)N(C)C
InChIInChI=1S/C18H29N3O/c1-4-16-12-8-9-13-21(16)18(22)19-14-17(20(2)3)15-10-6-5-7-11-15/h5-7,10-11,16-17H,4,8-9,12-14H2,1-3H3,(H,19,22)
InChIKeyVUBCCYGPYLCPEN-UHFFFAOYSA-N
XLogP3.26
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(2-ethylpyrrolidine-1-carbonyl)amino]-2-phenylpropanoic acid
CID 62878683
(2R)-2-[(2-ethylpiperidine-1-carbonyl)amino]-2-phenylacetic acid
CID 61196822
(2R)-2-ethyl-N-phenylpiperidine-1-carboxamide
CID 728630
N-[2-(dimethylamino)-2-phenylethyl]cyclohexanecarboxamide
CID 45001445
N-[(2S)-2-(dimethylamino)-2-phenylethyl]-2-[methyl-[2-[(2S)-1-methylpiperidin-2-yl]ethyl]amino]acetamide
CID 98878574
4-[(2-ethylazepane-1-carbonyl)amino]-3-methylbutanoic acid
CID 113441843
2-(hydroxymethyl)-N-(2-phenyl-2-pyrrolidin-1-ylethyl)pyrrolidine-1-carboxamide
CID 111427676
N-[2-(dimethylamino)-2-phenylethyl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
CID 78844749
2-(hydroxymethyl)-N-(3-methyl-2-phenylbutyl)pyrrolidine-1-carboxamide
CID 111427979
2-(hydroxymethyl)-N-(2-methoxy-2-phenylethyl)pyrrolidine-1-carboxamide
CID 111427848
N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-2-pyridin-4-ylazepane-1-carboxamide
CID 112831935
3-[(2-ethylpiperidine-1-carbonyl)amino]propanoic acid
CID 61194702

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-phenylethyl]-2-ethylpiperidine-1-carboxamide?
The IUPAC name of N-[2-(dimethylamino)-2-phenylethyl]-2-ethylpiperidine-1-carboxamide (CID 86999382) is N-[2-(dimethylamino)-2-phenylethyl]-2-ethylpiperidine-1-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-phenylethyl]-2-ethylpiperidine-1-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)-2-phenylethyl]-2-ethylpiperidine-1-carboxamide is CCC1CCCCN1C(=O)NCC(c1ccccc1)N(C)C.
What is the InChIKey of N-[2-(dimethylamino)-2-phenylethyl]-2-ethylpiperidine-1-carboxamide?
The InChIKey is VUBCCYGPYLCPEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O/c1-4-16-12-8-9-13-21(16)18(22)19-14-17(20(2)3)15-10-6-5-7-11-15/h5-7,10-11,16-17H,4,8-9,12-14H2,1-3H3,(H,19,22).
What are the key properties of N-[2-(dimethylamino)-2-phenylethyl]-2-ethylpiperidine-1-carboxamide?
N-[2-(dimethylamino)-2-phenylethyl]-2-ethylpiperidine-1-carboxamide has a molecular weight of 303.45 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-phenylethyl]-2-ethylpiperidine-1-carboxamide is sourced from PubChem (CID 86999382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).