(2S)-2-methoxy-2-methyl-N-[4-[2-[(3S)-3-methylpiperidin-1-yl]ethoxy]phenyl]butanamide

C20H32N2O3 — CID 125060717

IUPAC(2S)-2-methoxy-2-methyl-N-[4-[2-[(3S)-3-methylpiperidin-1-yl]ethoxy]phenyl]butanamide
SMILESCC[C@](C)(OC)C(=O)Nc1ccc(OCCN2CCC[C@H](C)C2)cc1
InChIInChI=1S/C20H32N2O3/c1-5-20(3,24-4)19(23)21-17-8-10-18(11-9-17)25-14-13-22-12-6-7-16(2)15-22/h8-11,16H,5-7,12-15H2,1-4H3,(H,21,23)/t16-,20-/m0/s1
InChIKeyKYFUHTDUENTHJV-JXFKEZNVSA-N
MW348.49 g/mol
LogP3.55
Rot. Bonds8

About (2S)-2-methoxy-2-methyl-N-[4-[2-[(3S)-3-methylpiperidin-1-yl]ethoxy]phenyl]butanamide

(2S)-2-methoxy-2-methyl-N-[4-[2-[(3S)-3-methylpiperidin-1-yl]ethoxy]phenyl]butanamide (PubChem CID 125060717) has the molecular formula C20H32N2O3 and a molecular weight of 348.49 g/mol. Its IUPAC name is (2S)-2-methoxy-2-methyl-N-[4-[2-[(3S)-3-methylpiperidin-1-yl]ethoxy]phenyl]butanamide.

Molecular Properties

Compound Name(2S)-2-methoxy-2-methyl-N-[4-[2-[(3S)-3-methylpiperidin-1-yl]ethoxy]phenyl]butanamide
PubChem CID125060717
Molecular FormulaC20H32N2O3
Molecular Weight348.49 g/mol
Exact Mass348.24
IUPAC Name(2S)-2-methoxy-2-methyl-N-[4-[2-[(3S)-3-methylpiperidin-1-yl]ethoxy]phenyl]butanamide
SMILESCC[C@](C)(OC)C(=O)Nc1ccc(OCCN2CCC[C@H](C)C2)cc1
InChIInChI=1S/C20H32N2O3/c1-5-20(3,24-4)19(23)21-17-8-10-18(11-9-17)25-14-13-22-12-6-7-16(2)15-22/h8-11,16H,5-7,12-15H2,1-4H3,(H,21,23)/t16-,20-/m0/s1
InChIKeyKYFUHTDUENTHJV-JXFKEZNVSA-N
XLogP3.55
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-[4-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]ethoxy]phenyl]-2-methoxy-2-methylbutanamide
CID 100693908
(2R)-N-[4-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]ethoxy]phenyl]-2-methoxy-2-methylbutanamide
CID 100693894
(2S)-2-methoxy-2-methyl-N-[4-[3-[(3R)-3-methylpiperidin-1-yl]propoxy]phenyl]heptanamide
CID 100702037
2-methyl-N-[4-[2-(3-methylpiperidin-1-yl)ethoxy]phenyl]-2-propoxypropanamide
CID 133246929
(2S)-2-methyl-N-[4-[2-[(3R)-3-methylpiperidin-1-yl]ethoxy]phenyl]-2-propoxypentanamide
CID 100739829
2,2,2-trichloro-N-[4-[2-(3-methylpiperidin-1-yl)ethoxy]phenyl]acetamide
CID 133179595
2-ethoxy-2,4-dimethyl-N-[4-[2-(3-methylpiperidin-1-yl)ethoxy]phenyl]pentanamide
CID 133246561
(2R)-2-ethoxy-2,4-dimethyl-N-[4-[2-[(3S)-3-methylpiperidin-1-yl]ethoxy]phenyl]pentanamide
CID 125060296
(2S)-2-cyclopropyl-N-[4-[2-[(3R)-3-methylpiperidin-1-yl]ethoxy]phenyl]-2-propoxypropanamide
CID 100717751
2-methyl-N-[4-[3-(3-methylpiperidin-1-yl)propoxy]phenyl]-2-propoxypentanamide
CID 133247084
(2R)-2-methyl-N-[4-[3-[(3S)-3-methylpiperidin-1-yl]propoxy]phenyl]-2-propoxypentanamide
CID 125060699
(2R)-2-methyl-N-[4-[3-[(3S)-3-methylpiperidin-1-yl]propoxy]phenyl]-2-propoxyhexanamide
CID 125060325

Frequently Asked Questions

What is the IUPAC name of (2S)-2-methoxy-2-methyl-N-[4-[2-[(3S)-3-methylpiperidin-1-yl]ethoxy]phenyl]butanamide?
The IUPAC name of (2S)-2-methoxy-2-methyl-N-[4-[2-[(3S)-3-methylpiperidin-1-yl]ethoxy]phenyl]butanamide (CID 125060717) is (2S)-2-methoxy-2-methyl-N-[4-[2-[(3S)-3-methylpiperidin-1-yl]ethoxy]phenyl]butanamide.
What is the SMILES notation for (2S)-2-methoxy-2-methyl-N-[4-[2-[(3S)-3-methylpiperidin-1-yl]ethoxy]phenyl]butanamide?
The canonical SMILES for (2S)-2-methoxy-2-methyl-N-[4-[2-[(3S)-3-methylpiperidin-1-yl]ethoxy]phenyl]butanamide is CC[C@](C)(OC)C(=O)Nc1ccc(OCCN2CCC[C@H](C)C2)cc1.
What is the InChIKey of (2S)-2-methoxy-2-methyl-N-[4-[2-[(3S)-3-methylpiperidin-1-yl]ethoxy]phenyl]butanamide?
The InChIKey is KYFUHTDUENTHJV-JXFKEZNVSA-N. The full InChI is InChI=1S/C20H32N2O3/c1-5-20(3,24-4)19(23)21-17-8-10-18(11-9-17)25-14-13-22-12-6-7-16(2)15-22/h8-11,16H,5-7,12-15H2,1-4H3,(H,21,23)/t16-,20-/m0/s1.
What are the key properties of (2S)-2-methoxy-2-methyl-N-[4-[2-[(3S)-3-methylpiperidin-1-yl]ethoxy]phenyl]butanamide?
(2S)-2-methoxy-2-methyl-N-[4-[2-[(3S)-3-methylpiperidin-1-yl]ethoxy]phenyl]butanamide has a molecular weight of 348.49 g/mol, XLogP of 3.55, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methoxy-2-methyl-N-[4-[2-[(3S)-3-methylpiperidin-1-yl]ethoxy]phenyl]butanamide is sourced from PubChem (CID 125060717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).