(2S,4S)-N-[6-(3-ethylphenoxy)-3-pyridinyl]-2-methylpiperidine-4-carboxamide

C20H25N3O2 — CID 120635226

IUPAC(2S,4S)-N-[6-(3-ethylphenoxy)-3-pyridinyl]-2-methylpiperidine-4-carboxamide
SMILESCCc1cccc(Oc2ccc(NC(=O)[C@H]3CCN[C@@H](C)C3)cn2)c1
InChIInChI=1S/C20H25N3O2/c1-3-15-5-4-6-18(12-15)25-19-8-7-17(13-22-19)23-20(24)16-9-10-21-14(2)11-16/h4-8,12-14,16,21H,3,9-11H2,1-2H3,(H,23,24)/t14-,16-/m0/s1
InChIKeyPAILRBCGHHZFSE-HOCLYGCPSA-N
MW339.44 g/mol
LogP3.76
Rot. Bonds5

About (2S,4S)-N-[6-(3-ethylphenoxy)-3-pyridinyl]-2-methylpiperidine-4-carboxamide

(2S,4S)-N-[6-(3-ethylphenoxy)-3-pyridinyl]-2-methylpiperidine-4-carboxamide (PubChem CID 120635226) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is (2S,4S)-N-[6-(3-ethylphenoxy)-3-pyridinyl]-2-methylpiperidine-4-carboxamide.

Molecular Properties

Compound Name(2S,4S)-N-[6-(3-ethylphenoxy)-3-pyridinyl]-2-methylpiperidine-4-carboxamide
PubChem CID120635226
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Name(2S,4S)-N-[6-(3-ethylphenoxy)-3-pyridinyl]-2-methylpiperidine-4-carboxamide
SMILESCCc1cccc(Oc2ccc(NC(=O)[C@H]3CCN[C@@H](C)C3)cn2)c1
InChIInChI=1S/C20H25N3O2/c1-3-15-5-4-6-18(12-15)25-19-8-7-17(13-22-19)23-20(24)16-9-10-21-14(2)11-16/h4-8,12-14,16,21H,3,9-11H2,1-2H3,(H,23,24)/t14-,16-/m0/s1
InChIKeyPAILRBCGHHZFSE-HOCLYGCPSA-N
XLogP3.76
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,4S)-2-methyl-N-(6-phenoxy-3-pyridinyl)piperidine-4-carboxamide;dihydrochloride
CID 120642212
N-[6-(3-ethylphenoxy)-3-pyridinyl]piperidine-3-carboxamide;dihydrochloride
CID 119858521
(3S)-N-[6-(3-ethylphenoxy)-3-pyridinyl]-1,1-dioxothiolane-3-carboxamide
CID 94008813
N-[6-(3-ethylphenoxy)-3-pyridinyl]-4-hydroxypyrrolidine-2-carboxamide
CID 119858536
N-[6-(3-ethylphenoxy)-3-pyridinyl]-4-hydroxypyrrolidine-2-carboxamide;dihydrochloride
CID 119858535
N-[6-(3-ethylphenoxy)-3-pyridinyl]-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide
CID 126795027
(2S,4S)-N-[4-(3-methoxyphenoxy)phenyl]-2-methylpiperidine-4-carboxamide
CID 120624482
(2S,4S)-2-methyl-N-(6-pyrrolidin-1-yl-3-pyridinyl)piperidine-4-carboxamide
CID 120632060
(2S,4S)-N-[3-(difluoromethoxy)phenyl]-2-methylpiperidine-4-carboxamide
CID 120620400
(2S,4S)-N-[3-[2-(diethylamino)-2-oxoethoxy]phenyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120621119
3-[6-(3-ethylphenoxy)-3-pyridinyl]-1-(2-methoxyethyl)-1-methylurea
CID 60543128
4-(aminomethyl)-N-[6-(3-ethylphenoxy)-3-pyridinyl]oxane-4-carboxamide;dihydrochloride
CID 120939703

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-N-[6-(3-ethylphenoxy)-3-pyridinyl]-2-methylpiperidine-4-carboxamide?
The IUPAC name of (2S,4S)-N-[6-(3-ethylphenoxy)-3-pyridinyl]-2-methylpiperidine-4-carboxamide (CID 120635226) is (2S,4S)-N-[6-(3-ethylphenoxy)-3-pyridinyl]-2-methylpiperidine-4-carboxamide.
What is the SMILES notation for (2S,4S)-N-[6-(3-ethylphenoxy)-3-pyridinyl]-2-methylpiperidine-4-carboxamide?
The canonical SMILES for (2S,4S)-N-[6-(3-ethylphenoxy)-3-pyridinyl]-2-methylpiperidine-4-carboxamide is CCc1cccc(Oc2ccc(NC(=O)[C@H]3CCN[C@@H](C)C3)cn2)c1.
What is the InChIKey of (2S,4S)-N-[6-(3-ethylphenoxy)-3-pyridinyl]-2-methylpiperidine-4-carboxamide?
The InChIKey is PAILRBCGHHZFSE-HOCLYGCPSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-3-15-5-4-6-18(12-15)25-19-8-7-17(13-22-19)23-20(24)16-9-10-21-14(2)11-16/h4-8,12-14,16,21H,3,9-11H2,1-2H3,(H,23,24)/t14-,16-/m0/s1.
What are the key properties of (2S,4S)-N-[6-(3-ethylphenoxy)-3-pyridinyl]-2-methylpiperidine-4-carboxamide?
(2S,4S)-N-[6-(3-ethylphenoxy)-3-pyridinyl]-2-methylpiperidine-4-carboxamide has a molecular weight of 339.44 g/mol, XLogP of 3.76, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-N-[6-(3-ethylphenoxy)-3-pyridinyl]-2-methylpiperidine-4-carboxamide is sourced from PubChem (CID 120635226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).