(3R,5S)-N-[(3,5-dimethylphenyl)methyl]-5-[(6-methyl-3-pyridinyl)oxymethyl]piperidine-3-carboxamide

C22H29N3O2 — CID 56855902

IUPAC(3R,5S)-N-[(3,5-dimethylphenyl)methyl]-5-[(6-methyl-3-pyridinyl)oxymethyl]piperidine-3-carboxamide
SMILESCc1cc(C)cc(CNC(=O)[C@H]2CNC[C@@H](COc3ccc(C)nc3)C2)c1
InChIInChI=1S/C22H29N3O2/c1-15-6-16(2)8-18(7-15)11-25-22(26)20-9-19(10-23-12-20)14-27-21-5-4-17(3)24-13-21/h4-8,13,19-20,23H,9-12,14H2,1-3H3,(H,25,26)/t19-,20+/m0/s1
InChIKeyKUOMKOXXOYKBCB-VQTJNVASSA-N
MW367.49 g/mol
LogP2.93
Rot. Bonds6

About (3R,5S)-N-[(3,5-dimethylphenyl)methyl]-5-[(6-methyl-3-pyridinyl)oxymethyl]piperidine-3-carboxamide

(3R,5S)-N-[(3,5-dimethylphenyl)methyl]-5-[(6-methyl-3-pyridinyl)oxymethyl]piperidine-3-carboxamide (PubChem CID 56855902) has the molecular formula C22H29N3O2 and a molecular weight of 367.49 g/mol. Its IUPAC name is (3R,5S)-N-[(3,5-dimethylphenyl)methyl]-5-[(6-methyl-3-pyridinyl)oxymethyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R,5S)-N-[(3,5-dimethylphenyl)methyl]-5-[(6-methyl-3-pyridinyl)oxymethyl]piperidine-3-carboxamide
PubChem CID56855902
Molecular FormulaC22H29N3O2
Molecular Weight367.49 g/mol
Exact Mass367.23
IUPAC Name(3R,5S)-N-[(3,5-dimethylphenyl)methyl]-5-[(6-methyl-3-pyridinyl)oxymethyl]piperidine-3-carboxamide
SMILESCc1cc(C)cc(CNC(=O)[C@H]2CNC[C@@H](COc3ccc(C)nc3)C2)c1
InChIInChI=1S/C22H29N3O2/c1-15-6-16(2)8-18(7-15)11-25-22(26)20-9-19(10-23-12-20)14-27-21-5-4-17(3)24-13-21/h4-8,13,19-20,23H,9-12,14H2,1-3H3,(H,25,26)/t19-,20+/m0/s1
InChIKeyKUOMKOXXOYKBCB-VQTJNVASSA-N
XLogP2.93
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R,5S)-N-[(3,5-dimethylphenyl)methyl]-5-[(6-methyl-3-pyridinyl)oxymethyl]piperidine-3-carboxamide?
The IUPAC name of (3R,5S)-N-[(3,5-dimethylphenyl)methyl]-5-[(6-methyl-3-pyridinyl)oxymethyl]piperidine-3-carboxamide (CID 56855902) is (3R,5S)-N-[(3,5-dimethylphenyl)methyl]-5-[(6-methyl-3-pyridinyl)oxymethyl]piperidine-3-carboxamide.
What is the SMILES notation for (3R,5S)-N-[(3,5-dimethylphenyl)methyl]-5-[(6-methyl-3-pyridinyl)oxymethyl]piperidine-3-carboxamide?
The canonical SMILES for (3R,5S)-N-[(3,5-dimethylphenyl)methyl]-5-[(6-methyl-3-pyridinyl)oxymethyl]piperidine-3-carboxamide is Cc1cc(C)cc(CNC(=O)[C@H]2CNC[C@@H](COc3ccc(C)nc3)C2)c1.
What is the InChIKey of (3R,5S)-N-[(3,5-dimethylphenyl)methyl]-5-[(6-methyl-3-pyridinyl)oxymethyl]piperidine-3-carboxamide?
The InChIKey is KUOMKOXXOYKBCB-VQTJNVASSA-N. The full InChI is InChI=1S/C22H29N3O2/c1-15-6-16(2)8-18(7-15)11-25-22(26)20-9-19(10-23-12-20)14-27-21-5-4-17(3)24-13-21/h4-8,13,19-20,23H,9-12,14H2,1-3H3,(H,25,26)/t19-,20+/m0/s1.
What are the key properties of (3R,5S)-N-[(3,5-dimethylphenyl)methyl]-5-[(6-methyl-3-pyridinyl)oxymethyl]piperidine-3-carboxamide?
(3R,5S)-N-[(3,5-dimethylphenyl)methyl]-5-[(6-methyl-3-pyridinyl)oxymethyl]piperidine-3-carboxamide has a molecular weight of 367.49 g/mol, XLogP of 2.93, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5S)-N-[(3,5-dimethylphenyl)methyl]-5-[(6-methyl-3-pyridinyl)oxymethyl]piperidine-3-carboxamide is sourced from PubChem (CID 56855902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).