ethyl 4-[3-(dimethylamino)piperidin-1-yl]pyridine-3-carboxylate

C15H23N3O2 — CID 86804866

IUPACethyl 4-[3-(dimethylamino)piperidin-1-yl]pyridine-3-carboxylate
SMILESCCOC(=O)c1cnccc1N1CCCC(N(C)C)C1
InChIInChI=1S/C15H23N3O2/c1-4-20-15(19)13-10-16-8-7-14(13)18-9-5-6-12(11-18)17(2)3/h7-8,10,12H,4-6,9,11H2,1-3H3
InChIKeyGMTCSLKLXIOUCN-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.79
Rot. Bonds4

About ethyl 4-[3-(dimethylamino)piperidin-1-yl]pyridine-3-carboxylate

ethyl 4-[3-(dimethylamino)piperidin-1-yl]pyridine-3-carboxylate (PubChem CID 86804866) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is ethyl 4-[3-(dimethylamino)piperidin-1-yl]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-[3-(dimethylamino)piperidin-1-yl]pyridine-3-carboxylate
PubChem CID86804866
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Nameethyl 4-[3-(dimethylamino)piperidin-1-yl]pyridine-3-carboxylate
SMILESCCOC(=O)c1cnccc1N1CCCC(N(C)C)C1
InChIInChI=1S/C15H23N3O2/c1-4-20-15(19)13-10-16-8-7-14(13)18-9-5-6-12(11-18)17(2)3/h7-8,10,12H,4-6,9,11H2,1-3H3
InChIKeyGMTCSLKLXIOUCN-UHFFFAOYSA-N
XLogP1.79
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethyl 4-[3-(dimethylamino)piperidin-1-yl]pyridine-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[3-(dimethylamino)piperidin-1-yl]pyridine-4-carboxylic acid
CID 114288772
4-[4-(dimethylamino)piperidin-1-yl]pyridine-3-carboxamide
CID 133442039
3-[3-(dimethylamino)pyrrolidin-1-yl]pyridine-4-carboxylic acid
CID 114288669
(4-chloro-3-pyridinyl)-[3-(dimethylamino)piperidin-1-yl]methanone
CID 81233181
4-[3-(hydroxymethyl)piperidin-1-yl]pyridine-3-carboxylic acid
CID 81232474
5-bromo-2-[3-(dimethylamino)piperidin-1-yl]benzoic acid
CID 114895868
ethyl 6-[3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]piperidin-1-yl]pyridine-3-carboxylate
CID 86777154
4-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]pyridine-3-carboxamide
CID 133442574
1-(3-bromo-4-pyridinyl)-N,N-dimethylazepan-4-amine
CID 163374943
ethyl 3-(dimethylamino)piperidine-1-carboxylate
CID 63862577
3-[3-(dimethylamino)piperidin-1-yl]pyridazine-4-carboxylic acid
CID 80517330
methyl 1-(3-chloro-4-pyridinyl)piperidine-3-carboxylate
CID 115538455

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[3-(dimethylamino)piperidin-1-yl]pyridine-3-carboxylate?
The IUPAC name of ethyl 4-[3-(dimethylamino)piperidin-1-yl]pyridine-3-carboxylate (CID 86804866) is ethyl 4-[3-(dimethylamino)piperidin-1-yl]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 4-[3-(dimethylamino)piperidin-1-yl]pyridine-3-carboxylate?
The canonical SMILES for ethyl 4-[3-(dimethylamino)piperidin-1-yl]pyridine-3-carboxylate is CCOC(=O)c1cnccc1N1CCCC(N(C)C)C1.
What is the InChIKey of ethyl 4-[3-(dimethylamino)piperidin-1-yl]pyridine-3-carboxylate?
The InChIKey is GMTCSLKLXIOUCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-4-20-15(19)13-10-16-8-7-14(13)18-9-5-6-12(11-18)17(2)3/h7-8,10,12H,4-6,9,11H2,1-3H3.
What are the key properties of ethyl 4-[3-(dimethylamino)piperidin-1-yl]pyridine-3-carboxylate?
ethyl 4-[3-(dimethylamino)piperidin-1-yl]pyridine-3-carboxylate has a molecular weight of 277.37 g/mol, XLogP of 1.79, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[3-(dimethylamino)piperidin-1-yl]pyridine-3-carboxylate is sourced from PubChem (CID 86804866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).