(2S,4S)-N-(furan-2-ylmethyl)-2-methyl-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide;hydrochloride

C18H24ClN3O2 — CID 120640268

IUPAC(2S,4S)-N-(furan-2-ylmethyl)-2-methyl-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide;hydrochloride
SMILESC[C@H]1C[C@@H](C(=O)N(Cc2cccnc2)Cc2ccco2)CCN1.Cl
InChIInChI=1S/C18H23N3O2.ClH/c1-14-10-16(6-8-20-14)18(22)21(13-17-5-3-9-23-17)12-15-4-2-7-19-11-15;/h2-5,7,9,11,14,16,20H,6,8,10,12-13H2,1H3;1H/t14-,16-;/m0./s1
InChIKeyRZEZFXHKHDCXLV-DMLYUBSXSA-N
MW349.86 g/mol
LogP3.01
Rot. Bonds5

About (2S,4S)-N-(furan-2-ylmethyl)-2-methyl-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide;hydrochloride

(2S,4S)-N-(furan-2-ylmethyl)-2-methyl-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide;hydrochloride (PubChem CID 120640268) has the molecular formula C18H24ClN3O2 and a molecular weight of 349.86 g/mol. Its IUPAC name is (2S,4S)-N-(furan-2-ylmethyl)-2-methyl-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2S,4S)-N-(furan-2-ylmethyl)-2-methyl-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide;hydrochloride
PubChem CID120640268
Molecular FormulaC18H24ClN3O2
Molecular Weight349.86 g/mol
Exact Mass349.16
IUPAC Name(2S,4S)-N-(furan-2-ylmethyl)-2-methyl-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide;hydrochloride
SMILESC[C@H]1C[C@@H](C(=O)N(Cc2cccnc2)Cc2ccco2)CCN1.Cl
InChIInChI=1S/C18H23N3O2.ClH/c1-14-10-16(6-8-20-14)18(22)21(13-17-5-3-9-23-17)12-15-4-2-7-19-11-15;/h2-5,7,9,11,14,16,20H,6,8,10,12-13H2,1H3;1H/t14-,16-;/m0./s1
InChIKeyRZEZFXHKHDCXLV-DMLYUBSXSA-N
XLogP3.01
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.86
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1R,2S,4S)-N-(furan-2-ylmethyl)-N-(pyridin-3-ylmethyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 98288464
N-cyclopentyl-N-(furan-2-ylmethyl)-2-methylpiperidine-4-carboxamide
CID 106739346
N-[1-(furan-2-yl)propan-2-yl]-2-methylpiperidine-4-carboxamide
CID 106738994
cis-(1R,3S)-3-[pyridin-3-ylmethyl(pyridin-4-ylmethyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 166254821
N-benzyl-N-(furan-2-ylmethyl)cyclopentanecarboxamide
CID 52894765
trans-(1S,2S)-N-benzyl-N-(furan-2-ylmethyl)-2-methylcyclopropane-1-carboxamide
CID 94823542
N-(furan-2-ylmethyl)-4-methylsulfanyl-N-(pyridin-3-ylmethyl)benzamide
CID 78843578
cis-(1S,3R)-N-benzyl-3-(dimethylamino)-N-(furan-2-ylmethyl)cyclohexane-1-carboxamide
CID 124738294
N-(2-cyanoethyl)-2-methyl-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
CID 79382834
N-(furan-2-ylmethyl)-4,5-dimethyl-N-(pyridin-3-ylmethyl)thiophene-2-carboxamide
CID 78843575
(2S,4S)-N-(furan-2-ylmethyl)-2-methylpiperidine-4-carboxamide
CID 120631128
N-(furan-2-ylmethyl)-4-(4-methylpiperidin-1-yl)-3-nitro-N-(pyridin-3-ylmethyl)benzamide
CID 25479546

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-N-(furan-2-ylmethyl)-2-methyl-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide;hydrochloride?
The IUPAC name of (2S,4S)-N-(furan-2-ylmethyl)-2-methyl-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide;hydrochloride (CID 120640268) is (2S,4S)-N-(furan-2-ylmethyl)-2-methyl-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for (2S,4S)-N-(furan-2-ylmethyl)-2-methyl-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide;hydrochloride?
The canonical SMILES for (2S,4S)-N-(furan-2-ylmethyl)-2-methyl-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide;hydrochloride is C[C@H]1C[C@@H](C(=O)N(Cc2cccnc2)Cc2ccco2)CCN1.Cl.
What is the InChIKey of (2S,4S)-N-(furan-2-ylmethyl)-2-methyl-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide;hydrochloride?
The InChIKey is RZEZFXHKHDCXLV-DMLYUBSXSA-N. The full InChI is InChI=1S/C18H23N3O2.ClH/c1-14-10-16(6-8-20-14)18(22)21(13-17-5-3-9-23-17)12-15-4-2-7-19-11-15;/h2-5,7,9,11,14,16,20H,6,8,10,12-13H2,1H3;1H/t14-,16-;/m0./s1.
What are the key properties of (2S,4S)-N-(furan-2-ylmethyl)-2-methyl-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide;hydrochloride?
(2S,4S)-N-(furan-2-ylmethyl)-2-methyl-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide;hydrochloride has a molecular weight of 349.86 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-N-(furan-2-ylmethyl)-2-methyl-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 120640268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).