(2S)-N-(3,4-dimethoxyphenyl)-2-[(3R)-3-methylpiperidin-1-yl]propanamide

C17H26N2O3 — CID 9275552

IUPAC(2S)-N-(3,4-dimethoxyphenyl)-2-[(3R)-3-methylpiperidin-1-yl]propanamide
SMILESCOc1ccc(NC(=O)[C@H](C)N2CCC[C@@H](C)C2)cc1OC
InChIInChI=1S/C17H26N2O3/c1-12-6-5-9-19(11-12)13(2)17(20)18-14-7-8-15(21-3)16(10-14)22-4/h7-8,10,12-13H,5-6,9,11H2,1-4H3,(H,18,20)/t12-,13+/m1/s1
InChIKeyHKUJKVVTTKCDRU-OLZOCXBDSA-N
MW306.41 g/mol
LogP2.76
Rot. Bonds5

About (2S)-N-(3,4-dimethoxyphenyl)-2-[(3R)-3-methylpiperidin-1-yl]propanamide

(2S)-N-(3,4-dimethoxyphenyl)-2-[(3R)-3-methylpiperidin-1-yl]propanamide (PubChem CID 9275552) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is (2S)-N-(3,4-dimethoxyphenyl)-2-[(3R)-3-methylpiperidin-1-yl]propanamide.

Molecular Properties

Compound Name(2S)-N-(3,4-dimethoxyphenyl)-2-[(3R)-3-methylpiperidin-1-yl]propanamide
PubChem CID9275552
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC Name(2S)-N-(3,4-dimethoxyphenyl)-2-[(3R)-3-methylpiperidin-1-yl]propanamide
SMILESCOc1ccc(NC(=O)[C@H](C)N2CCC[C@@H](C)C2)cc1OC
InChIInChI=1S/C17H26N2O3/c1-12-6-5-9-19(11-12)13(2)17(20)18-14-7-8-15(21-3)16(10-14)22-4/h7-8,10,12-13H,5-6,9,11H2,1-4H3,(H,18,20)/t12-,13+/m1/s1
InChIKeyHKUJKVVTTKCDRU-OLZOCXBDSA-N
XLogP2.76
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-(4-methoxyphenyl)-2-[(3S)-3-methylpiperidin-1-yl]propanamide
CID 9275474
N-(4-chlorophenyl)-2-(3-methylpiperidin-1-yl)propanamide
CID 4824476
N-(4-acetylphenyl)-2-(3-methylpiperidin-1-yl)propanamide
CID 4825469
(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
(2S)-N-(4-ethoxyphenyl)-2-[(3S)-3-methylpiperidin-1-yl]propanamide
CID 9275461
N-(3-carbamothioylphenyl)-2-(3-methylpiperidin-1-yl)propanamide
CID 43103510
(2S)-N-(3-chloro-4-methoxyphenyl)-2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propanamide
CID 9430884
(2S)-2-[(3R)-3-methylpiperidin-1-yl]-N-(4-piperidin-1-ylphenyl)propanamide
CID 41157173
(2S)-N-(3-chloro-4-methoxyphenyl)-2-[(3S)-3-methylpiperidin-1-yl]-2-phenylacetamide
CID 6598333
(2R)-N-(3-chloro-4-methoxyphenyl)-2-[(3S)-3-methylpiperidin-1-yl]-2-phenylacetamide
CID 2419129
2-(4-benzoylpiperidin-1-yl)-N-(3,4-dimethoxyphenyl)propanamide
CID 51322952

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(3,4-dimethoxyphenyl)-2-[(3R)-3-methylpiperidin-1-yl]propanamide?
The IUPAC name of (2S)-N-(3,4-dimethoxyphenyl)-2-[(3R)-3-methylpiperidin-1-yl]propanamide (CID 9275552) is (2S)-N-(3,4-dimethoxyphenyl)-2-[(3R)-3-methylpiperidin-1-yl]propanamide.
What is the SMILES notation for (2S)-N-(3,4-dimethoxyphenyl)-2-[(3R)-3-methylpiperidin-1-yl]propanamide?
The canonical SMILES for (2S)-N-(3,4-dimethoxyphenyl)-2-[(3R)-3-methylpiperidin-1-yl]propanamide is COc1ccc(NC(=O)[C@H](C)N2CCC[C@@H](C)C2)cc1OC.
What is the InChIKey of (2S)-N-(3,4-dimethoxyphenyl)-2-[(3R)-3-methylpiperidin-1-yl]propanamide?
The InChIKey is HKUJKVVTTKCDRU-OLZOCXBDSA-N. The full InChI is InChI=1S/C17H26N2O3/c1-12-6-5-9-19(11-12)13(2)17(20)18-14-7-8-15(21-3)16(10-14)22-4/h7-8,10,12-13H,5-6,9,11H2,1-4H3,(H,18,20)/t12-,13+/m1/s1.
What are the key properties of (2S)-N-(3,4-dimethoxyphenyl)-2-[(3R)-3-methylpiperidin-1-yl]propanamide?
(2S)-N-(3,4-dimethoxyphenyl)-2-[(3R)-3-methylpiperidin-1-yl]propanamide has a molecular weight of 306.41 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(3,4-dimethoxyphenyl)-2-[(3R)-3-methylpiperidin-1-yl]propanamide is sourced from PubChem (CID 9275552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).