ethyl N-[[4-(piperidine-1-carbonyl)-2-pyridinyl]methyl]carbamate

C15H21N3O3 — CID 112530420

IUPACethyl N-[[4-(piperidine-1-carbonyl)-2-pyridinyl]methyl]carbamate
SMILESCCOC(=O)NCc1cc(C(=O)N2CCCCC2)ccn1
InChIInChI=1S/C15H21N3O3/c1-2-21-15(20)17-11-13-10-12(6-7-16-13)14(19)18-8-4-3-5-9-18/h6-7,10H,2-5,8-9,11H2,1H3,(H,17,20)
InChIKeyJPUJXICTGIMKMY-UHFFFAOYSA-N
MW291.35 g/mol
LogP1.95
Rot. Bonds4

About ethyl N-[[4-(piperidine-1-carbonyl)-2-pyridinyl]methyl]carbamate

ethyl N-[[4-(piperidine-1-carbonyl)-2-pyridinyl]methyl]carbamate (PubChem CID 112530420) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is ethyl N-[[4-(piperidine-1-carbonyl)-2-pyridinyl]methyl]carbamate.

Molecular Properties

Compound Nameethyl N-[[4-(piperidine-1-carbonyl)-2-pyridinyl]methyl]carbamate
PubChem CID112530420
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Nameethyl N-[[4-(piperidine-1-carbonyl)-2-pyridinyl]methyl]carbamate
SMILESCCOC(=O)NCc1cc(C(=O)N2CCCCC2)ccn1
InChIInChI=1S/C15H21N3O3/c1-2-21-15(20)17-11-13-10-12(6-7-16-13)14(19)18-8-4-3-5-9-18/h6-7,10H,2-5,8-9,11H2,1H3,(H,17,20)
InChIKeyJPUJXICTGIMKMY-UHFFFAOYSA-N
XLogP1.95
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl N-[[4-(piperidine-1-carbonyl)-2-pyridinyl]methyl]carbamate?
The IUPAC name of ethyl N-[[4-(piperidine-1-carbonyl)-2-pyridinyl]methyl]carbamate (CID 112530420) is ethyl N-[[4-(piperidine-1-carbonyl)-2-pyridinyl]methyl]carbamate.
What is the SMILES notation for ethyl N-[[4-(piperidine-1-carbonyl)-2-pyridinyl]methyl]carbamate?
The canonical SMILES for ethyl N-[[4-(piperidine-1-carbonyl)-2-pyridinyl]methyl]carbamate is CCOC(=O)NCc1cc(C(=O)N2CCCCC2)ccn1.
What is the InChIKey of ethyl N-[[4-(piperidine-1-carbonyl)-2-pyridinyl]methyl]carbamate?
The InChIKey is JPUJXICTGIMKMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-2-21-15(20)17-11-13-10-12(6-7-16-13)14(19)18-8-4-3-5-9-18/h6-7,10H,2-5,8-9,11H2,1H3,(H,17,20).
What are the key properties of ethyl N-[[4-(piperidine-1-carbonyl)-2-pyridinyl]methyl]carbamate?
ethyl N-[[4-(piperidine-1-carbonyl)-2-pyridinyl]methyl]carbamate has a molecular weight of 291.35 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[[4-(piperidine-1-carbonyl)-2-pyridinyl]methyl]carbamate is sourced from PubChem (CID 112530420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).