3-[(3S)-1-(3-chloro-2-pyridinyl)piperidin-3-yl]-N-(4-methoxy-2-methylphenyl)propanamide

C21H26ClN3O2 — CID 26403321

IUPAC3-[(3S)-1-(3-chloro-2-pyridinyl)piperidin-3-yl]-N-(4-methoxy-2-methylphenyl)propanamide
SMILESCOc1ccc(NC(=O)CC[C@@H]2CCCN(c3ncccc3Cl)C2)c(C)c1
InChIInChI=1S/C21H26ClN3O2/c1-15-13-17(27-2)8-9-19(15)24-20(26)10-7-16-5-4-12-25(14-16)21-18(22)6-3-11-23-21/h3,6,8-9,11,13,16H,4-5,7,10,12,14H2,1-2H3,(H,24,26)/t16-/m0/s1
InChIKeyHYDZYMGHCXIWPK-INIZCTEOSA-N
MW387.91 g/mol
LogP4.69
Rot. Bonds6

About 3-[(3S)-1-(3-chloro-2-pyridinyl)piperidin-3-yl]-N-(4-methoxy-2-methylphenyl)propanamide

3-[(3S)-1-(3-chloro-2-pyridinyl)piperidin-3-yl]-N-(4-methoxy-2-methylphenyl)propanamide (PubChem CID 26403321) has the molecular formula C21H26ClN3O2 and a molecular weight of 387.91 g/mol. Its IUPAC name is 3-[(3S)-1-(3-chloro-2-pyridinyl)piperidin-3-yl]-N-(4-methoxy-2-methylphenyl)propanamide.

Molecular Properties

Compound Name3-[(3S)-1-(3-chloro-2-pyridinyl)piperidin-3-yl]-N-(4-methoxy-2-methylphenyl)propanamide
PubChem CID26403321
Molecular FormulaC21H26ClN3O2
Molecular Weight387.91 g/mol
Exact Mass387.17
IUPAC Name3-[(3S)-1-(3-chloro-2-pyridinyl)piperidin-3-yl]-N-(4-methoxy-2-methylphenyl)propanamide
SMILESCOc1ccc(NC(=O)CC[C@@H]2CCCN(c3ncccc3Cl)C2)c(C)c1
InChIInChI=1S/C21H26ClN3O2/c1-15-13-17(27-2)8-9-19(15)24-20(26)10-7-16-5-4-12-25(14-16)21-18(22)6-3-11-23-21/h3,6,8-9,11,13,16H,4-5,7,10,12,14H2,1-2H3,(H,24,26)/t16-/m0/s1
InChIKeyHYDZYMGHCXIWPK-INIZCTEOSA-N
XLogP4.69
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.91
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-methoxy-2-methylphenyl)-3-[(3S)-1-(pyrrolidine-1-carbonyl)piperidin-3-yl]propanamide
CID 97281101
N-(4-methoxy-2-methylphenyl)-3-[1-(pyrrolidine-1-carbonyl)piperidin-3-yl]propanamide
CID 72909680
3-[(3R)-1-(1,3-benzothiazol-2-yl)piperidin-3-yl]-N-(4-methoxy-2-methylphenyl)propanamide
CID 25480023
3-[(3S)-1-(5-ethyl-1,2,4-oxadiazol-3-yl)piperidin-3-yl]-N-(4-methoxy-2-methylphenyl)propanamide
CID 97274583
N-(4-methoxy-2-methylphenyl)-3-[(3S)-1-[2-(4-methylphenoxy)acetyl]piperidin-3-yl]propanamide
CID 25381029
3-[(3S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-3-yl]-N-(4-methoxy-2-methylphenyl)propanamide
CID 97269318
N-(4-methoxy-2-methylphenyl)-3-[(3R)-1-[(6-methyl-2-pyridinyl)methyl]piperidin-3-yl]propanamide
CID 26411235
N-(4-methoxy-2-methylphenyl)-3-[(3R)-1-(oxan-4-yl)piperidin-3-yl]propanamide
CID 26411725
methyl 5-[(3R)-3-[3-(4-methoxy-2-methylanilino)-3-oxopropyl]piperidin-1-yl]-5-oxopentanoate
CID 42558129
N-(4-methoxy-2-methylphenyl)-3-[1-(4-oxo-4-phenylbutanoyl)piperidin-3-yl]propanamide
CID 45200068
3-[(3R)-1-[2-(2-fluorophenyl)acetyl]piperidin-3-yl]-N-(4-methoxy-2-methylphenyl)propanamide
CID 42195877
3-[(3S)-1-[(4,5-dimethylfuran-2-yl)methyl]piperidin-3-yl]-N-(4-methoxy-2-methylphenyl)propanamide
CID 42241549

Frequently Asked Questions

What is the IUPAC name of 3-[(3S)-1-(3-chloro-2-pyridinyl)piperidin-3-yl]-N-(4-methoxy-2-methylphenyl)propanamide?
The IUPAC name of 3-[(3S)-1-(3-chloro-2-pyridinyl)piperidin-3-yl]-N-(4-methoxy-2-methylphenyl)propanamide (CID 26403321) is 3-[(3S)-1-(3-chloro-2-pyridinyl)piperidin-3-yl]-N-(4-methoxy-2-methylphenyl)propanamide.
What is the SMILES notation for 3-[(3S)-1-(3-chloro-2-pyridinyl)piperidin-3-yl]-N-(4-methoxy-2-methylphenyl)propanamide?
The canonical SMILES for 3-[(3S)-1-(3-chloro-2-pyridinyl)piperidin-3-yl]-N-(4-methoxy-2-methylphenyl)propanamide is COc1ccc(NC(=O)CC[C@@H]2CCCN(c3ncccc3Cl)C2)c(C)c1.
What is the InChIKey of 3-[(3S)-1-(3-chloro-2-pyridinyl)piperidin-3-yl]-N-(4-methoxy-2-methylphenyl)propanamide?
The InChIKey is HYDZYMGHCXIWPK-INIZCTEOSA-N. The full InChI is InChI=1S/C21H26ClN3O2/c1-15-13-17(27-2)8-9-19(15)24-20(26)10-7-16-5-4-12-25(14-16)21-18(22)6-3-11-23-21/h3,6,8-9,11,13,16H,4-5,7,10,12,14H2,1-2H3,(H,24,26)/t16-/m0/s1.
What are the key properties of 3-[(3S)-1-(3-chloro-2-pyridinyl)piperidin-3-yl]-N-(4-methoxy-2-methylphenyl)propanamide?
3-[(3S)-1-(3-chloro-2-pyridinyl)piperidin-3-yl]-N-(4-methoxy-2-methylphenyl)propanamide has a molecular weight of 387.91 g/mol, XLogP of 4.69, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3S)-1-(3-chloro-2-pyridinyl)piperidin-3-yl]-N-(4-methoxy-2-methylphenyl)propanamide is sourced from PubChem (CID 26403321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).