ethyl 4-[[2-(dimethylamino)-2-pyridin-3-ylacetyl]amino]piperidine-1-carboxylate

C17H26N4O3 — CID 110753942

IUPACethyl 4-[[2-(dimethylamino)-2-pyridin-3-ylacetyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)C(c2cccnc2)N(C)C)CC1
InChIInChI=1S/C17H26N4O3/c1-4-24-17(23)21-10-7-14(8-11-21)19-16(22)15(20(2)3)13-6-5-9-18-12-13/h5-6,9,12,14-15H,4,7-8,10-11H2,1-3H3,(H,19,22)
InChIKeyWBUPNCCQVXEIGT-UHFFFAOYSA-N
MW334.42 g/mol
LogP1.42
Rot. Bonds5

About ethyl 4-[[2-(dimethylamino)-2-pyridin-3-ylacetyl]amino]piperidine-1-carboxylate

ethyl 4-[[2-(dimethylamino)-2-pyridin-3-ylacetyl]amino]piperidine-1-carboxylate (PubChem CID 110753942) has the molecular formula C17H26N4O3 and a molecular weight of 334.42 g/mol. Its IUPAC name is ethyl 4-[[2-(dimethylamino)-2-pyridin-3-ylacetyl]amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[[2-(dimethylamino)-2-pyridin-3-ylacetyl]amino]piperidine-1-carboxylate
PubChem CID110753942
Molecular FormulaC17H26N4O3
Molecular Weight334.42 g/mol
Exact Mass334.20
IUPAC Nameethyl 4-[[2-(dimethylamino)-2-pyridin-3-ylacetyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)C(c2cccnc2)N(C)C)CC1
InChIInChI=1S/C17H26N4O3/c1-4-24-17(23)21-10-7-14(8-11-21)19-16(22)15(20(2)3)13-6-5-9-18-12-13/h5-6,9,12,14-15H,4,7-8,10-11H2,1-3H3,(H,19,22)
InChIKeyWBUPNCCQVXEIGT-UHFFFAOYSA-N
XLogP1.42
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-[[2-(dimethylamino)-2-phenylacetyl]amino]piperidine-1-carboxylate
CID 47840553
ethyl 4-(3-pyridin-3-ylpropanoylamino)piperidine-1-carboxylate
CID 31369357
ethyl 4-(pyridin-3-ylmethylcarbamoylamino)piperidine-1-carboxylate
CID 110706271
ethyl 4-[(R)-cyano(pyridin-3-yl)methyl]piperidine-1-carboxylate
CID 129362508
ethyl 4-[[N'-(pyridin-3-ylmethyl)carbamimidoyl]amino]piperidine-1-carboxylate
CID 111023362
ethyl 4-[(4-pyridin-3-yloxybenzoyl)amino]piperidine-1-carboxylate
CID 47990681
ethyl 2-[[2-(dimethylamino)-2-pyridin-3-ylacetyl]amino]benzoate
CID 110754063
1-[4-[[(1S)-1-pyridin-3-ylethyl]amino]piperidin-1-yl]ethanone
CID 78950814
tert-butyl 4-[[2-[4-tert-butyl-N-(1H-imidazole-5-carbonyl)anilino]-2-pyridin-3-ylacetyl]amino]piperidine-1-carboxylate
CID 168806756
ethyl 4-[[N-ethyl-N'-(2-pyridin-3-yloxyethyl)carbamimidoyl]amino]piperidine-1-carboxylate
CID 111838271
ethyl 4-[(2-pyridin-3-yl-1,3-thiazole-4-carbonyl)amino]piperidine-1-carboxylate
CID 3520150
ethyl 4-(2-bromopropanoylamino)piperidine-1-carboxylate
CID 103693309

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[2-(dimethylamino)-2-pyridin-3-ylacetyl]amino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[[2-(dimethylamino)-2-pyridin-3-ylacetyl]amino]piperidine-1-carboxylate (CID 110753942) is ethyl 4-[[2-(dimethylamino)-2-pyridin-3-ylacetyl]amino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[[2-(dimethylamino)-2-pyridin-3-ylacetyl]amino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[[2-(dimethylamino)-2-pyridin-3-ylacetyl]amino]piperidine-1-carboxylate is CCOC(=O)N1CCC(NC(=O)C(c2cccnc2)N(C)C)CC1.
What is the InChIKey of ethyl 4-[[2-(dimethylamino)-2-pyridin-3-ylacetyl]amino]piperidine-1-carboxylate?
The InChIKey is WBUPNCCQVXEIGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O3/c1-4-24-17(23)21-10-7-14(8-11-21)19-16(22)15(20(2)3)13-6-5-9-18-12-13/h5-6,9,12,14-15H,4,7-8,10-11H2,1-3H3,(H,19,22).
What are the key properties of ethyl 4-[[2-(dimethylamino)-2-pyridin-3-ylacetyl]amino]piperidine-1-carboxylate?
ethyl 4-[[2-(dimethylamino)-2-pyridin-3-ylacetyl]amino]piperidine-1-carboxylate has a molecular weight of 334.42 g/mol, XLogP of 1.42, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[2-(dimethylamino)-2-pyridin-3-ylacetyl]amino]piperidine-1-carboxylate is sourced from PubChem (CID 110753942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).