N-(2-aminoethyl)-1-(3,5-dichloro-4-pyridinyl)piperidine-4-carboxamide

C13H18Cl2N4O — CID 45275021

IUPACN-(2-aminoethyl)-1-(3,5-dichloro-4-pyridinyl)piperidine-4-carboxamide
SMILESNCCNC(=O)C1CCN(c2c(Cl)cncc2Cl)CC1
InChIInChI=1S/C13H18Cl2N4O/c14-10-7-17-8-11(15)12(10)19-5-1-9(2-6-19)13(20)18-4-3-16/h7-9H,1-6,16H2,(H,18,20)
InChIKeyWVWKUZCOVSSGRN-UHFFFAOYSA-N
MW317.22 g/mol
LogP1.68
Rot. Bonds4

About N-(2-aminoethyl)-1-(3,5-dichloro-4-pyridinyl)piperidine-4-carboxamide

N-(2-aminoethyl)-1-(3,5-dichloro-4-pyridinyl)piperidine-4-carboxamide (PubChem CID 45275021) has the molecular formula C13H18Cl2N4O and a molecular weight of 317.22 g/mol. Its IUPAC name is N-(2-aminoethyl)-1-(3,5-dichloro-4-pyridinyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-1-(3,5-dichloro-4-pyridinyl)piperidine-4-carboxamide
PubChem CID45275021
Molecular FormulaC13H18Cl2N4O
Molecular Weight317.22 g/mol
Exact Mass316.09
IUPAC NameN-(2-aminoethyl)-1-(3,5-dichloro-4-pyridinyl)piperidine-4-carboxamide
SMILESNCCNC(=O)C1CCN(c2c(Cl)cncc2Cl)CC1
InChIInChI=1S/C13H18Cl2N4O/c14-10-7-17-8-11(15)12(10)19-5-1-9(2-6-19)13(20)18-4-3-16/h7-9H,1-6,16H2,(H,18,20)
InChIKeyWVWKUZCOVSSGRN-UHFFFAOYSA-N
XLogP1.68
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.22
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-1-(3,5-dichloro-4-pyridinyl)piperidine-4-carboxamide?
The IUPAC name of N-(2-aminoethyl)-1-(3,5-dichloro-4-pyridinyl)piperidine-4-carboxamide (CID 45275021) is N-(2-aminoethyl)-1-(3,5-dichloro-4-pyridinyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(2-aminoethyl)-1-(3,5-dichloro-4-pyridinyl)piperidine-4-carboxamide?
The canonical SMILES for N-(2-aminoethyl)-1-(3,5-dichloro-4-pyridinyl)piperidine-4-carboxamide is NCCNC(=O)C1CCN(c2c(Cl)cncc2Cl)CC1.
What is the InChIKey of N-(2-aminoethyl)-1-(3,5-dichloro-4-pyridinyl)piperidine-4-carboxamide?
The InChIKey is WVWKUZCOVSSGRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18Cl2N4O/c14-10-7-17-8-11(15)12(10)19-5-1-9(2-6-19)13(20)18-4-3-16/h7-9H,1-6,16H2,(H,18,20).
What are the key properties of N-(2-aminoethyl)-1-(3,5-dichloro-4-pyridinyl)piperidine-4-carboxamide?
N-(2-aminoethyl)-1-(3,5-dichloro-4-pyridinyl)piperidine-4-carboxamide has a molecular weight of 317.22 g/mol, XLogP of 1.68, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-1-(3,5-dichloro-4-pyridinyl)piperidine-4-carboxamide is sourced from PubChem (CID 45275021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).