1-(2-aminoethyl)-N-[3-(cyclohexylmethoxy)-2-pyridinyl]piperidine-4-carboxamide;dihydrochloride

C20H34Cl2N4O2 — CID 166276334

IUPAC1-(2-aminoethyl)-N-[3-(cyclohexylmethoxy)-2-pyridinyl]piperidine-4-carboxamide;dihydrochloride
SMILESCl.Cl.NCCN1CCC(C(=O)Nc2ncccc2OCC2CCCCC2)CC1
InChIInChI=1S/C20H32N4O2.2ClH/c21-10-14-24-12-8-17(9-13-24)20(25)23-19-18(7-4-11-22-19)26-15-16-5-2-1-3-6-16;;/h4,7,11,16-17H,1-3,5-6,8-10,12-15,21H2,(H,22,23,25);2*1H
InChIKeyDTHQBMJCMRSHBF-UHFFFAOYSA-N
MW433.42 g/mol
LogP3.49
Rot. Bonds7

About 1-(2-aminoethyl)-N-[3-(cyclohexylmethoxy)-2-pyridinyl]piperidine-4-carboxamide;dihydrochloride

1-(2-aminoethyl)-N-[3-(cyclohexylmethoxy)-2-pyridinyl]piperidine-4-carboxamide;dihydrochloride (PubChem CID 166276334) has the molecular formula C20H34Cl2N4O2 and a molecular weight of 433.42 g/mol. Its IUPAC name is 1-(2-aminoethyl)-N-[3-(cyclohexylmethoxy)-2-pyridinyl]piperidine-4-carboxamide;dihydrochloride.

Molecular Properties

Compound Name1-(2-aminoethyl)-N-[3-(cyclohexylmethoxy)-2-pyridinyl]piperidine-4-carboxamide;dihydrochloride
PubChem CID166276334
Molecular FormulaC20H34Cl2N4O2
Molecular Weight433.42 g/mol
Exact Mass432.21
IUPAC Name1-(2-aminoethyl)-N-[3-(cyclohexylmethoxy)-2-pyridinyl]piperidine-4-carboxamide;dihydrochloride
SMILESCl.Cl.NCCN1CCC(C(=O)Nc2ncccc2OCC2CCCCC2)CC1
InChIInChI=1S/C20H32N4O2.2ClH/c21-10-14-24-12-8-17(9-13-24)20(25)23-19-18(7-4-11-22-19)26-15-16-5-2-1-3-6-16;;/h4,7,11,16-17H,1-3,5-6,8-10,12-15,21H2,(H,22,23,25);2*1H
InChIKeyDTHQBMJCMRSHBF-UHFFFAOYSA-N
XLogP3.49
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.42
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(cyclohexylmethoxy)-2-pyridinyl]-2-methyl-3-(methylamino)propanamide;dihydrochloride
CID 119872216
N-[3-(cyclohexylmethoxy)-2-pyridinyl]-2-phenylpyrimidine-5-carboxamide
CID 47090333
N-[3-(cyclohexylmethoxy)-2-pyridinyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 47090328
N-(3-phenylmethoxy-2-pyridinyl)cyclopropanecarboxamide
CID 3532731
1-(2-aminoethyl)-N-(1H-pyrrol-2-yl)piperidine-4-carboxamide
CID 115161785
3-(cyclohexylmethoxy)pyridine-2-carbaldehyde
CID 171364232
2-(cyclobutanecarbonylamino)pyridine-3-carboxylic acid
CID 63654626
2-chloro-3-(cyclohexylmethoxy)pyridine
CID 65101918
1-(2-aminoethyl)-N-cyclobutylpiperidine-4-carboxamide
CID 115161796
1-(2-phenylethyl)-N-pyrimidin-2-ylpiperidine-4-carboxamide
CID 75479402
cyclohexylmethyl 2-pyrrolidin-1-ylpyridine-3-carboxylate
CID 55527421
N-(3-methyl-2-pyridinyl)-1-[2-[[(2R)-oxolan-2-yl]methoxy]benzoyl]piperidine-4-carboxamide
CID 51960658

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoethyl)-N-[3-(cyclohexylmethoxy)-2-pyridinyl]piperidine-4-carboxamide;dihydrochloride?
The IUPAC name of 1-(2-aminoethyl)-N-[3-(cyclohexylmethoxy)-2-pyridinyl]piperidine-4-carboxamide;dihydrochloride (CID 166276334) is 1-(2-aminoethyl)-N-[3-(cyclohexylmethoxy)-2-pyridinyl]piperidine-4-carboxamide;dihydrochloride.
What is the SMILES notation for 1-(2-aminoethyl)-N-[3-(cyclohexylmethoxy)-2-pyridinyl]piperidine-4-carboxamide;dihydrochloride?
The canonical SMILES for 1-(2-aminoethyl)-N-[3-(cyclohexylmethoxy)-2-pyridinyl]piperidine-4-carboxamide;dihydrochloride is Cl.Cl.NCCN1CCC(C(=O)Nc2ncccc2OCC2CCCCC2)CC1.
What is the InChIKey of 1-(2-aminoethyl)-N-[3-(cyclohexylmethoxy)-2-pyridinyl]piperidine-4-carboxamide;dihydrochloride?
The InChIKey is DTHQBMJCMRSHBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N4O2.2ClH/c21-10-14-24-12-8-17(9-13-24)20(25)23-19-18(7-4-11-22-19)26-15-16-5-2-1-3-6-16;;/h4,7,11,16-17H,1-3,5-6,8-10,12-15,21H2,(H,22,23,25);2*1H.
What are the key properties of 1-(2-aminoethyl)-N-[3-(cyclohexylmethoxy)-2-pyridinyl]piperidine-4-carboxamide;dihydrochloride?
1-(2-aminoethyl)-N-[3-(cyclohexylmethoxy)-2-pyridinyl]piperidine-4-carboxamide;dihydrochloride has a molecular weight of 433.42 g/mol, XLogP of 3.49, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminoethyl)-N-[3-(cyclohexylmethoxy)-2-pyridinyl]piperidine-4-carboxamide;dihydrochloride is sourced from PubChem (CID 166276334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).