3-methyl-N-(2-pyridin-2-ylethyl)piperidine-3-carboxamide;dihydrochloride

C14H23Cl2N3O — CID 119946078

IUPAC3-methyl-N-(2-pyridin-2-ylethyl)piperidine-3-carboxamide;dihydrochloride
SMILESCC1(C(=O)NCCc2ccccn2)CCCNC1.Cl.Cl
InChIInChI=1S/C14H21N3O.2ClH/c1-14(7-4-8-15-11-14)13(18)17-10-6-12-5-2-3-9-16-12;;/h2-3,5,9,15H,4,6-8,10-11H2,1H3,(H,17,18);2*1H
InChIKeyVXYUJCWDPPHURU-UHFFFAOYSA-N
MW320.26 g/mol
LogP1.97
Rot. Bonds4

About 3-methyl-N-(2-pyridin-2-ylethyl)piperidine-3-carboxamide;dihydrochloride

3-methyl-N-(2-pyridin-2-ylethyl)piperidine-3-carboxamide;dihydrochloride (PubChem CID 119946078) has the molecular formula C14H23Cl2N3O and a molecular weight of 320.26 g/mol. Its IUPAC name is 3-methyl-N-(2-pyridin-2-ylethyl)piperidine-3-carboxamide;dihydrochloride.

Molecular Properties

Compound Name3-methyl-N-(2-pyridin-2-ylethyl)piperidine-3-carboxamide;dihydrochloride
PubChem CID119946078
Molecular FormulaC14H23Cl2N3O
Molecular Weight320.26 g/mol
Exact Mass319.12
IUPAC Name3-methyl-N-(2-pyridin-2-ylethyl)piperidine-3-carboxamide;dihydrochloride
SMILESCC1(C(=O)NCCc2ccccn2)CCCNC1.Cl.Cl
InChIInChI=1S/C14H21N3O.2ClH/c1-14(7-4-8-15-11-14)13(18)17-10-6-12-5-2-3-9-16-12;;/h2-3,5,9,15H,4,6-8,10-11H2,1H3,(H,17,18);2*1H
InChIKeyVXYUJCWDPPHURU-UHFFFAOYSA-N
XLogP1.97
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.26
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-N-(2-pyridin-3-ylethyl)piperidine-3-carboxamide;dihydrochloride
CID 119946421
3-propan-2-yl-N-(2-pyridin-2-ylethyl)pyrrolidine-3-carboxamide
CID 106979600
1-amino-N-(2-pyridin-2-ylethyl)cyclohexane-1-carboxamide
CID 24704991
3-methyl-N-[(3-methyl-2-pyridinyl)methyl]piperidine-3-carboxamide;dihydrochloride
CID 119946915
3-methyl-N-(3-phenoxypropyl)piperidine-3-carboxamide
CID 63133086
3-methyl-N-(pyridazin-3-ylmethyl)piperidine-3-carboxamide
CID 106896221
1-tert-butyl-N-(2-pyridin-2-ylethyl)cyclohexane-1-carboxamide
CID 51357520
(3-methylpiperidin-3-yl)-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone;trihydrochloride
CID 119947468
(3aR,7aR)-N-(2-pyridin-2-ylethyl)-3,4,5,6,7,7a-hexahydro-2H-furo[3,2-c]pyridine-3a-carboxamide;dihydrochloride
CID 155834162
3-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]piperidine-3-carboxamide;dihydrochloride
CID 119946260
3-methyl-N-(2-methyl-2-phenylpropyl)piperidine-3-carboxamide;hydrochloride
CID 119944553
(3R)-N-[[2-[benzyl(methyl)amino]-3-pyridinyl]methyl]-3-methylpiperidine-3-carboxamide
CID 95223621

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(2-pyridin-2-ylethyl)piperidine-3-carboxamide;dihydrochloride?
The IUPAC name of 3-methyl-N-(2-pyridin-2-ylethyl)piperidine-3-carboxamide;dihydrochloride (CID 119946078) is 3-methyl-N-(2-pyridin-2-ylethyl)piperidine-3-carboxamide;dihydrochloride.
What is the SMILES notation for 3-methyl-N-(2-pyridin-2-ylethyl)piperidine-3-carboxamide;dihydrochloride?
The canonical SMILES for 3-methyl-N-(2-pyridin-2-ylethyl)piperidine-3-carboxamide;dihydrochloride is CC1(C(=O)NCCc2ccccn2)CCCNC1.Cl.Cl.
What is the InChIKey of 3-methyl-N-(2-pyridin-2-ylethyl)piperidine-3-carboxamide;dihydrochloride?
The InChIKey is VXYUJCWDPPHURU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O.2ClH/c1-14(7-4-8-15-11-14)13(18)17-10-6-12-5-2-3-9-16-12;;/h2-3,5,9,15H,4,6-8,10-11H2,1H3,(H,17,18);2*1H.
What are the key properties of 3-methyl-N-(2-pyridin-2-ylethyl)piperidine-3-carboxamide;dihydrochloride?
3-methyl-N-(2-pyridin-2-ylethyl)piperidine-3-carboxamide;dihydrochloride has a molecular weight of 320.26 g/mol, XLogP of 1.97, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(2-pyridin-2-ylethyl)piperidine-3-carboxamide;dihydrochloride is sourced from PubChem (CID 119946078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).