(2S)-N-(4-methoxyphenyl)-2-[(3S)-3-methylpiperidin-1-yl]propanamide

C16H24N2O2 — CID 9275474

IUPAC(2S)-N-(4-methoxyphenyl)-2-[(3S)-3-methylpiperidin-1-yl]propanamide
SMILESCOc1ccc(NC(=O)[C@H](C)N2CCC[C@H](C)C2)cc1
InChIInChI=1S/C16H24N2O2/c1-12-5-4-10-18(11-12)13(2)16(19)17-14-6-8-15(20-3)9-7-14/h6-9,12-13H,4-5,10-11H2,1-3H3,(H,17,19)/t12-,13-/m0/s1
InChIKeyZAVLYDHYIVAEEN-STQMWFEESA-N
MW276.38 g/mol
LogP2.75
Rot. Bonds4

About (2S)-N-(4-methoxyphenyl)-2-[(3S)-3-methylpiperidin-1-yl]propanamide

(2S)-N-(4-methoxyphenyl)-2-[(3S)-3-methylpiperidin-1-yl]propanamide (PubChem CID 9275474) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is (2S)-N-(4-methoxyphenyl)-2-[(3S)-3-methylpiperidin-1-yl]propanamide.

Molecular Properties

Compound Name(2S)-N-(4-methoxyphenyl)-2-[(3S)-3-methylpiperidin-1-yl]propanamide
PubChem CID9275474
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name(2S)-N-(4-methoxyphenyl)-2-[(3S)-3-methylpiperidin-1-yl]propanamide
SMILESCOc1ccc(NC(=O)[C@H](C)N2CCC[C@H](C)C2)cc1
InChIInChI=1S/C16H24N2O2/c1-12-5-4-10-18(11-12)13(2)16(19)17-14-6-8-15(20-3)9-7-14/h6-9,12-13H,4-5,10-11H2,1-3H3,(H,17,19)/t12-,13-/m0/s1
InChIKeyZAVLYDHYIVAEEN-STQMWFEESA-N
XLogP2.75
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-(4-ethoxyphenyl)-2-[(3S)-3-methylpiperidin-1-yl]propanamide
CID 9275461
N-(4-chlorophenyl)-2-(3-methylpiperidin-1-yl)propanamide
CID 4824476
(2S)-N-(3,4-dimethoxyphenyl)-2-[(3R)-3-methylpiperidin-1-yl]propanamide
CID 9275552
N-(4-acetylphenyl)-2-(3-methylpiperidin-1-yl)propanamide
CID 4825469
(2S)-2-[(3R)-3-methylpiperidin-1-yl]-N-(4-piperidin-1-ylphenyl)propanamide
CID 41157173
(2S)-N-(3-acetylphenyl)-2-[(3S)-3-methylpiperidin-1-yl]propanamide
CID 8903614
(2S)-2-[(3R)-3-methylpiperidin-1-yl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide
CID 9275584
methyl 6-methoxy-3-[2-(3-methylpiperidin-1-yl)propanoylamino]-1H-indole-2-carboxylate
CID 3772154
N-(4-aminophenyl)-2-(3-methoxypiperidin-1-yl)propanamide
CID 102956363
2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-(4-methoxyphenyl)propanamide
CID 120776022
(2S)-N-(2-chlorophenyl)-2-[(3R)-3-methylpiperidin-1-yl]propanamide
CID 9275425
N-(3-carbamothioylphenyl)-2-(3-methylpiperidin-1-yl)propanamide
CID 43103510

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(4-methoxyphenyl)-2-[(3S)-3-methylpiperidin-1-yl]propanamide?
The IUPAC name of (2S)-N-(4-methoxyphenyl)-2-[(3S)-3-methylpiperidin-1-yl]propanamide (CID 9275474) is (2S)-N-(4-methoxyphenyl)-2-[(3S)-3-methylpiperidin-1-yl]propanamide.
What is the SMILES notation for (2S)-N-(4-methoxyphenyl)-2-[(3S)-3-methylpiperidin-1-yl]propanamide?
The canonical SMILES for (2S)-N-(4-methoxyphenyl)-2-[(3S)-3-methylpiperidin-1-yl]propanamide is COc1ccc(NC(=O)[C@H](C)N2CCC[C@H](C)C2)cc1.
What is the InChIKey of (2S)-N-(4-methoxyphenyl)-2-[(3S)-3-methylpiperidin-1-yl]propanamide?
The InChIKey is ZAVLYDHYIVAEEN-STQMWFEESA-N. The full InChI is InChI=1S/C16H24N2O2/c1-12-5-4-10-18(11-12)13(2)16(19)17-14-6-8-15(20-3)9-7-14/h6-9,12-13H,4-5,10-11H2,1-3H3,(H,17,19)/t12-,13-/m0/s1.
What are the key properties of (2S)-N-(4-methoxyphenyl)-2-[(3S)-3-methylpiperidin-1-yl]propanamide?
(2S)-N-(4-methoxyphenyl)-2-[(3S)-3-methylpiperidin-1-yl]propanamide has a molecular weight of 276.38 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(4-methoxyphenyl)-2-[(3S)-3-methylpiperidin-1-yl]propanamide is sourced from PubChem (CID 9275474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).