(2S,4S)-2-methyl-N-(6-phenoxy-3-pyridinyl)piperidine-4-carboxamide;dihydrochloride

C18H23Cl2N3O2 — CID 120642212

IUPAC(2S,4S)-2-methyl-N-(6-phenoxy-3-pyridinyl)piperidine-4-carboxamide;dihydrochloride
SMILESC[C@H]1C[C@@H](C(=O)Nc2ccc(Oc3ccccc3)nc2)CCN1.Cl.Cl
InChIInChI=1S/C18H21N3O2.2ClH/c1-13-11-14(9-10-19-13)18(22)21-15-7-8-17(20-12-15)23-16-5-3-2-4-6-16;;/h2-8,12-14,19H,9-11H2,1H3,(H,21,22);2*1H/t13-,14-;;/m0../s1
InChIKeyLNYKKXLFXJWAHQ-AXEKQOJOSA-N
MW384.31 g/mol
LogP4.04
Rot. Bonds4

About (2S,4S)-2-methyl-N-(6-phenoxy-3-pyridinyl)piperidine-4-carboxamide;dihydrochloride

(2S,4S)-2-methyl-N-(6-phenoxy-3-pyridinyl)piperidine-4-carboxamide;dihydrochloride (PubChem CID 120642212) has the molecular formula C18H23Cl2N3O2 and a molecular weight of 384.31 g/mol. Its IUPAC name is (2S,4S)-2-methyl-N-(6-phenoxy-3-pyridinyl)piperidine-4-carboxamide;dihydrochloride.

Molecular Properties

Compound Name(2S,4S)-2-methyl-N-(6-phenoxy-3-pyridinyl)piperidine-4-carboxamide;dihydrochloride
PubChem CID120642212
Molecular FormulaC18H23Cl2N3O2
Molecular Weight384.31 g/mol
Exact Mass383.12
IUPAC Name(2S,4S)-2-methyl-N-(6-phenoxy-3-pyridinyl)piperidine-4-carboxamide;dihydrochloride
SMILESC[C@H]1C[C@@H](C(=O)Nc2ccc(Oc3ccccc3)nc2)CCN1.Cl.Cl
InChIInChI=1S/C18H21N3O2.2ClH/c1-13-11-14(9-10-19-13)18(22)21-15-7-8-17(20-12-15)23-16-5-3-2-4-6-16;;/h2-8,12-14,19H,9-11H2,1H3,(H,21,22);2*1H/t13-,14-;;/m0../s1
InChIKeyLNYKKXLFXJWAHQ-AXEKQOJOSA-N
XLogP4.04
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.31
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,4S)-N-[6-(3-ethylphenoxy)-3-pyridinyl]-2-methylpiperidine-4-carboxamide
CID 120635226
(2S,4S)-N-[4-(2-chlorophenoxy)phenyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120619213
N-(6-phenoxy-3-pyridinyl)pyrrolidine-2-carboxamide
CID 119849166
(2S,4S)-N-[4-(cyclopropanecarbonylamino)phenyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120619530
(2S,4S)-N-[4-(3-methoxyphenoxy)phenyl]-2-methylpiperidine-4-carboxamide
CID 120624482
N-[6-(4-fluorophenoxy)-3-pyridinyl]cyclopropanecarboxamide
CID 117059029
(2S,4S)-2-methyl-N-(6-pyrrolidin-1-yl-3-pyridinyl)piperidine-4-carboxamide
CID 120632060
1-(2-methoxyacetyl)-N-(6-phenoxy-3-pyridinyl)piperidine-4-carboxamide
CID 56852437
(2S,4S)-N-[3-(difluoromethoxy)phenyl]-2-methylpiperidine-4-carboxamide
CID 120620400
methyl N-[4-[(2-methylpiperidine-4-carbonyl)amino]phenyl]carbamate
CID 106739126
N-(6-phenoxy-3-pyridinyl)-2-pyrrolidin-2-ylacetamide
CID 119849176
(2S,4S)-N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120632728

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-2-methyl-N-(6-phenoxy-3-pyridinyl)piperidine-4-carboxamide;dihydrochloride?
The IUPAC name of (2S,4S)-2-methyl-N-(6-phenoxy-3-pyridinyl)piperidine-4-carboxamide;dihydrochloride (CID 120642212) is (2S,4S)-2-methyl-N-(6-phenoxy-3-pyridinyl)piperidine-4-carboxamide;dihydrochloride.
What is the SMILES notation for (2S,4S)-2-methyl-N-(6-phenoxy-3-pyridinyl)piperidine-4-carboxamide;dihydrochloride?
The canonical SMILES for (2S,4S)-2-methyl-N-(6-phenoxy-3-pyridinyl)piperidine-4-carboxamide;dihydrochloride is C[C@H]1C[C@@H](C(=O)Nc2ccc(Oc3ccccc3)nc2)CCN1.Cl.Cl.
What is the InChIKey of (2S,4S)-2-methyl-N-(6-phenoxy-3-pyridinyl)piperidine-4-carboxamide;dihydrochloride?
The InChIKey is LNYKKXLFXJWAHQ-AXEKQOJOSA-N. The full InChI is InChI=1S/C18H21N3O2.2ClH/c1-13-11-14(9-10-19-13)18(22)21-15-7-8-17(20-12-15)23-16-5-3-2-4-6-16;;/h2-8,12-14,19H,9-11H2,1H3,(H,21,22);2*1H/t13-,14-;;/m0../s1.
What are the key properties of (2S,4S)-2-methyl-N-(6-phenoxy-3-pyridinyl)piperidine-4-carboxamide;dihydrochloride?
(2S,4S)-2-methyl-N-(6-phenoxy-3-pyridinyl)piperidine-4-carboxamide;dihydrochloride has a molecular weight of 384.31 g/mol, XLogP of 4.04, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-2-methyl-N-(6-phenoxy-3-pyridinyl)piperidine-4-carboxamide;dihydrochloride is sourced from PubChem (CID 120642212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).