ethyl 4-[[2-(dimethylamino)-2-phenylacetyl]amino]piperidine-1-carboxylate

C18H27N3O3 — CID 47840553

IUPACethyl 4-[[2-(dimethylamino)-2-phenylacetyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)C(c2ccccc2)N(C)C)CC1
InChIInChI=1S/C18H27N3O3/c1-4-24-18(23)21-12-10-15(11-13-21)19-17(22)16(20(2)3)14-8-6-5-7-9-14/h5-9,15-16H,4,10-13H2,1-3H3,(H,19,22)
InChIKeyATJJKTVJLGWKQB-UHFFFAOYSA-N
MW333.43 g/mol
LogP2.03
Rot. Bonds5

About ethyl 4-[[2-(dimethylamino)-2-phenylacetyl]amino]piperidine-1-carboxylate

ethyl 4-[[2-(dimethylamino)-2-phenylacetyl]amino]piperidine-1-carboxylate (PubChem CID 47840553) has the molecular formula C18H27N3O3 and a molecular weight of 333.43 g/mol. Its IUPAC name is ethyl 4-[[2-(dimethylamino)-2-phenylacetyl]amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[[2-(dimethylamino)-2-phenylacetyl]amino]piperidine-1-carboxylate
PubChem CID47840553
Molecular FormulaC18H27N3O3
Molecular Weight333.43 g/mol
Exact Mass333.21
IUPAC Nameethyl 4-[[2-(dimethylamino)-2-phenylacetyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)C(c2ccccc2)N(C)C)CC1
InChIInChI=1S/C18H27N3O3/c1-4-24-18(23)21-12-10-15(11-13-21)19-17(22)16(20(2)3)14-8-6-5-7-9-14/h5-9,15-16H,4,10-13H2,1-3H3,(H,19,22)
InChIKeyATJJKTVJLGWKQB-UHFFFAOYSA-N
XLogP2.03
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 110753942
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CID 60614184
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CID 78818038
ethyl 4-[4-[(2,2-diphenylacetyl)amino]piperidin-1-yl]-4-oxobutanoate
CID 108559440
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CID 103693309
ethyl 4-[[1-(dimethylamino)-3-phenylpropan-2-yl]carbamoylamino]piperidine-1-carboxylate
CID 60547220
ethyl 4-[(1-benzylpiperidin-4-yl)carbamoylamino]piperidine-1-carboxylate
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2-(dimethylamino)-2-phenyl-N-piperidin-4-ylacetamide;dihydrochloride
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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[2-(dimethylamino)-2-phenylacetyl]amino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[[2-(dimethylamino)-2-phenylacetyl]amino]piperidine-1-carboxylate (CID 47840553) is ethyl 4-[[2-(dimethylamino)-2-phenylacetyl]amino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[[2-(dimethylamino)-2-phenylacetyl]amino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[[2-(dimethylamino)-2-phenylacetyl]amino]piperidine-1-carboxylate is CCOC(=O)N1CCC(NC(=O)C(c2ccccc2)N(C)C)CC1.
What is the InChIKey of ethyl 4-[[2-(dimethylamino)-2-phenylacetyl]amino]piperidine-1-carboxylate?
The InChIKey is ATJJKTVJLGWKQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O3/c1-4-24-18(23)21-12-10-15(11-13-21)19-17(22)16(20(2)3)14-8-6-5-7-9-14/h5-9,15-16H,4,10-13H2,1-3H3,(H,19,22).
What are the key properties of ethyl 4-[[2-(dimethylamino)-2-phenylacetyl]amino]piperidine-1-carboxylate?
ethyl 4-[[2-(dimethylamino)-2-phenylacetyl]amino]piperidine-1-carboxylate has a molecular weight of 333.43 g/mol, XLogP of 2.03, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[2-(dimethylamino)-2-phenylacetyl]amino]piperidine-1-carboxylate is sourced from PubChem (CID 47840553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).