ethyl 4-[(2-chloro-3-pyridinyl)amino]piperidine-1-carboxylate

C13H18ClN3O2 — CID 11846754

IUPACethyl 4-[(2-chloro-3-pyridinyl)amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(Nc2cccnc2Cl)CC1
InChIInChI=1S/C13H18ClN3O2/c1-2-19-13(18)17-8-5-10(6-9-17)16-11-4-3-7-15-12(11)14/h3-4,7,10,16H,2,5-6,8-9H2,1H3
InChIKeyUBZFNANLUWYHJX-UHFFFAOYSA-N
MW283.76 g/mol
LogP2.77
Rot. Bonds3

About ethyl 4-[(2-chloro-3-pyridinyl)amino]piperidine-1-carboxylate

ethyl 4-[(2-chloro-3-pyridinyl)amino]piperidine-1-carboxylate (PubChem CID 11846754) has the molecular formula C13H18ClN3O2 and a molecular weight of 283.76 g/mol. Its IUPAC name is ethyl 4-[(2-chloro-3-pyridinyl)amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[(2-chloro-3-pyridinyl)amino]piperidine-1-carboxylate
PubChem CID11846754
Molecular FormulaC13H18ClN3O2
Molecular Weight283.76 g/mol
Exact Mass283.11
IUPAC Nameethyl 4-[(2-chloro-3-pyridinyl)amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(Nc2cccnc2Cl)CC1
InChIInChI=1S/C13H18ClN3O2/c1-2-19-13(18)17-8-5-10(6-9-17)16-11-4-3-7-15-12(11)14/h3-4,7,10,16H,2,5-6,8-9H2,1H3
InChIKeyUBZFNANLUWYHJX-UHFFFAOYSA-N
XLogP2.77
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.76
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(2-chloro-3-pyridinyl)amino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[(2-chloro-3-pyridinyl)amino]piperidine-1-carboxylate (CID 11846754) is ethyl 4-[(2-chloro-3-pyridinyl)amino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[(2-chloro-3-pyridinyl)amino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[(2-chloro-3-pyridinyl)amino]piperidine-1-carboxylate is CCOC(=O)N1CCC(Nc2cccnc2Cl)CC1.
What is the InChIKey of ethyl 4-[(2-chloro-3-pyridinyl)amino]piperidine-1-carboxylate?
The InChIKey is UBZFNANLUWYHJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3O2/c1-2-19-13(18)17-8-5-10(6-9-17)16-11-4-3-7-15-12(11)14/h3-4,7,10,16H,2,5-6,8-9H2,1H3.
What are the key properties of ethyl 4-[(2-chloro-3-pyridinyl)amino]piperidine-1-carboxylate?
ethyl 4-[(2-chloro-3-pyridinyl)amino]piperidine-1-carboxylate has a molecular weight of 283.76 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(2-chloro-3-pyridinyl)amino]piperidine-1-carboxylate is sourced from PubChem (CID 11846754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).