(2S)-2-[(3R,5S)-3,5-dimethylpiperidin-1-ium-1-yl]-N-naphthalen-1-ylpropanamide

C20H27N2O+ — CID 8929830

IUPAC(2S)-2-[(3R,5S)-3,5-dimethylpiperidin-1-ium-1-yl]-N-naphthalen-1-ylpropanamide
SMILESC[C@@H]1C[C@H](C)C[NH+]([C@@H](C)C(=O)Nc2cccc3ccccc23)C1
InChIInChI=1S/C20H26N2O/c1-14-11-15(2)13-22(12-14)16(3)20(23)21-19-10-6-8-17-7-4-5-9-18(17)19/h4-10,14-16H,11-13H2,1-3H3,(H,21,23)/p+1/t14-,15+,16-/m0/s1
InChIKeyFSIXEABZFZUHLX-XHSDSOJGSA-O
MW311.45 g/mol
LogP2.73
Rot. Bonds3

About (2S)-2-[(3R,5S)-3,5-dimethylpiperidin-1-ium-1-yl]-N-naphthalen-1-ylpropanamide

(2S)-2-[(3R,5S)-3,5-dimethylpiperidin-1-ium-1-yl]-N-naphthalen-1-ylpropanamide (PubChem CID 8929830) has the molecular formula C20H27N2O+ and a molecular weight of 311.45 g/mol. Its IUPAC name is (2S)-2-[(3R,5S)-3,5-dimethylpiperidin-1-ium-1-yl]-N-naphthalen-1-ylpropanamide.

Molecular Properties

Compound Name(2S)-2-[(3R,5S)-3,5-dimethylpiperidin-1-ium-1-yl]-N-naphthalen-1-ylpropanamide
PubChem CID8929830
Molecular FormulaC20H27N2O+
Molecular Weight311.45 g/mol
Exact Mass311.21
IUPAC Name(2S)-2-[(3R,5S)-3,5-dimethylpiperidin-1-ium-1-yl]-N-naphthalen-1-ylpropanamide
SMILESC[C@@H]1C[C@H](C)C[NH+]([C@@H](C)C(=O)Nc2cccc3ccccc23)C1
InChIInChI=1S/C20H26N2O/c1-14-11-15(2)13-22(12-14)16(3)20(23)21-19-10-6-8-17-7-4-5-9-18(17)19/h4-10,14-16H,11-13H2,1-3H3,(H,21,23)/p+1/t14-,15+,16-/m0/s1
InChIKeyFSIXEABZFZUHLX-XHSDSOJGSA-O
XLogP2.73
TPSA33.54 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

(2S)-2-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]-N-naphthalen-1-ylpropanamide
CID 8929833
2-(azetidin-3-yl)-N-naphthalen-1-ylpropanamide
CID 116674289
2-bromo-3-methyl-N-naphthalen-1-ylbutanamide
CID 4074049
2-methyl-N-naphthalen-1-ylpentanamide
CID 112762783
1-(2-hydroxypropyl)-3-naphthalen-1-ylurea
CID 17468556
1-[(2S)-butan-2-yl]-3-naphthalen-1-ylurea
CID 2241028
1-naphthalen-1-yl-3-[2-(naphthalen-1-ylcarbamoylamino)phenyl]urea
CID 177491059
1-naphthalen-1-yl-3-[5-(naphthalen-1-ylcarbamoylamino)naphthalen-1-yl]urea
CID 27190755
(2R)-N-(2-fluorophenyl)-2-[4-(naphthalen-1-ylmethyl)piperazine-1,4-diium-1-yl]propanamide
CID 9047010
(2S)-N-[4-(difluoromethylsulfanyl)phenyl]-2-[(3R,5S)-3,5-dimethylpiperidin-1-ium-1-yl]propanamide
CID 9430753
N'-naphthalen-1-yl-N-(2-propan-2-ylphenyl)oxamide
CID 108500558
N-naphthalen-1-yl-2-phenoxypropanamide
CID 2794096

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(3R,5S)-3,5-dimethylpiperidin-1-ium-1-yl]-N-naphthalen-1-ylpropanamide?
The IUPAC name of (2S)-2-[(3R,5S)-3,5-dimethylpiperidin-1-ium-1-yl]-N-naphthalen-1-ylpropanamide (CID 8929830) is (2S)-2-[(3R,5S)-3,5-dimethylpiperidin-1-ium-1-yl]-N-naphthalen-1-ylpropanamide.
What is the SMILES notation for (2S)-2-[(3R,5S)-3,5-dimethylpiperidin-1-ium-1-yl]-N-naphthalen-1-ylpropanamide?
The canonical SMILES for (2S)-2-[(3R,5S)-3,5-dimethylpiperidin-1-ium-1-yl]-N-naphthalen-1-ylpropanamide is C[C@@H]1C[C@H](C)C[NH+]([C@@H](C)C(=O)Nc2cccc3ccccc23)C1.
What is the InChIKey of (2S)-2-[(3R,5S)-3,5-dimethylpiperidin-1-ium-1-yl]-N-naphthalen-1-ylpropanamide?
The InChIKey is FSIXEABZFZUHLX-XHSDSOJGSA-O. The full InChI is InChI=1S/C20H26N2O/c1-14-11-15(2)13-22(12-14)16(3)20(23)21-19-10-6-8-17-7-4-5-9-18(17)19/h4-10,14-16H,11-13H2,1-3H3,(H,21,23)/p+1/t14-,15+,16-/m0/s1.
What are the key properties of (2S)-2-[(3R,5S)-3,5-dimethylpiperidin-1-ium-1-yl]-N-naphthalen-1-ylpropanamide?
(2S)-2-[(3R,5S)-3,5-dimethylpiperidin-1-ium-1-yl]-N-naphthalen-1-ylpropanamide has a molecular weight of 311.45 g/mol, XLogP of 2.73, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(3R,5S)-3,5-dimethylpiperidin-1-ium-1-yl]-N-naphthalen-1-ylpropanamide is sourced from PubChem (CID 8929830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).