(2S)-N-ethyl-N-(furan-3-ylmethyl)-1-(pyridin-3-ylmethyl)piperidine-2-carboxamide

C19H25N3O2 — CID 95629690

IUPAC(2S)-N-ethyl-N-(furan-3-ylmethyl)-1-(pyridin-3-ylmethyl)piperidine-2-carboxamide
SMILESCCN(Cc1ccoc1)C(=O)[C@@H]1CCCCN1Cc1cccnc1
InChIInChI=1S/C19H25N3O2/c1-2-21(14-17-8-11-24-15-17)19(23)18-7-3-4-10-22(18)13-16-6-5-9-20-12-16/h5-6,8-9,11-12,15,18H,2-4,7,10,13-14H2,1H3/t18-/m0/s1
InChIKeyJLOKETIPBWCSJT-SFHVURJKSA-N
MW327.43 g/mol
LogP3.08
Rot. Bonds6

About (2S)-N-ethyl-N-(furan-3-ylmethyl)-1-(pyridin-3-ylmethyl)piperidine-2-carboxamide

(2S)-N-ethyl-N-(furan-3-ylmethyl)-1-(pyridin-3-ylmethyl)piperidine-2-carboxamide (PubChem CID 95629690) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is (2S)-N-ethyl-N-(furan-3-ylmethyl)-1-(pyridin-3-ylmethyl)piperidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-ethyl-N-(furan-3-ylmethyl)-1-(pyridin-3-ylmethyl)piperidine-2-carboxamide
PubChem CID95629690
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC Name(2S)-N-ethyl-N-(furan-3-ylmethyl)-1-(pyridin-3-ylmethyl)piperidine-2-carboxamide
SMILESCCN(Cc1ccoc1)C(=O)[C@@H]1CCCCN1Cc1cccnc1
InChIInChI=1S/C19H25N3O2/c1-2-21(14-17-8-11-24-15-17)19(23)18-7-3-4-10-22(18)13-16-6-5-9-20-12-16/h5-6,8-9,11-12,15,18H,2-4,7,10,13-14H2,1H3/t18-/m0/s1
InChIKeyJLOKETIPBWCSJT-SFHVURJKSA-N
XLogP3.08
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzyl-N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-ethylpiperidine-2-carboxamide
CID 91830712
(3aR,6aS)-4-(furan-3-ylmethyl)-1-(pyridin-3-ylmethyl)-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrole
CID 97378577
N'-hydroxy-1-(pyridin-3-ylmethyl)piperidine-2-carboximidamide
CID 77041710
[(3R)-3-hydroxypiperidin-1-yl]-[(2S)-1-(pyridin-3-ylmethyl)piperidin-2-yl]methanone
CID 100679012
(3-hydroxypiperidin-1-yl)-[1-(pyridin-3-ylmethyl)piperidin-2-yl]methanone
CID 119032652
3-[(2-ethylpiperidin-1-yl)methyl]pyridine
CID 47021485
2-[[(2S)-1-benzylpyrrolidine-2-carbonyl]-ethylamino]acetic acid
CID 124683732
1-[1-(pyridin-3-ylmethyl)azepan-2-yl]propan-2-one
CID 79560623
(2R)-N,N-dimethyl-1,4-bis(pyridin-3-ylmethyl)piperazine-2-carboxamide
CID 97325846
1-acetyl-N-ethyl-N-(pyridin-4-ylmethyl)piperidine-2-carboxamide
CID 146086260
methyl (2R)-2-phenyl-2-[(2R)-1-(pyridin-3-ylmethyl)piperidin-2-yl]acetate
CID 52943482
N-(3-imidazol-1-ylpropyl)-1-methyl-N-(pyridin-3-ylmethyl)azepane-2-carboxamide
CID 74244457

Frequently Asked Questions

What is the IUPAC name of (2S)-N-ethyl-N-(furan-3-ylmethyl)-1-(pyridin-3-ylmethyl)piperidine-2-carboxamide?
The IUPAC name of (2S)-N-ethyl-N-(furan-3-ylmethyl)-1-(pyridin-3-ylmethyl)piperidine-2-carboxamide (CID 95629690) is (2S)-N-ethyl-N-(furan-3-ylmethyl)-1-(pyridin-3-ylmethyl)piperidine-2-carboxamide.
What is the SMILES notation for (2S)-N-ethyl-N-(furan-3-ylmethyl)-1-(pyridin-3-ylmethyl)piperidine-2-carboxamide?
The canonical SMILES for (2S)-N-ethyl-N-(furan-3-ylmethyl)-1-(pyridin-3-ylmethyl)piperidine-2-carboxamide is CCN(Cc1ccoc1)C(=O)[C@@H]1CCCCN1Cc1cccnc1.
What is the InChIKey of (2S)-N-ethyl-N-(furan-3-ylmethyl)-1-(pyridin-3-ylmethyl)piperidine-2-carboxamide?
The InChIKey is JLOKETIPBWCSJT-SFHVURJKSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-2-21(14-17-8-11-24-15-17)19(23)18-7-3-4-10-22(18)13-16-6-5-9-20-12-16/h5-6,8-9,11-12,15,18H,2-4,7,10,13-14H2,1H3/t18-/m0/s1.
What are the key properties of (2S)-N-ethyl-N-(furan-3-ylmethyl)-1-(pyridin-3-ylmethyl)piperidine-2-carboxamide?
(2S)-N-ethyl-N-(furan-3-ylmethyl)-1-(pyridin-3-ylmethyl)piperidine-2-carboxamide has a molecular weight of 327.43 g/mol, XLogP of 3.08, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-ethyl-N-(furan-3-ylmethyl)-1-(pyridin-3-ylmethyl)piperidine-2-carboxamide is sourced from PubChem (CID 95629690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).