(2R)-N-phenyl-2-piperidin-1-ium-1-ylpropanamide

C14H21N2O+ — CID 7999786

IUPAC(2R)-N-phenyl-2-piperidin-1-ium-1-ylpropanamide
SMILESC[C@H](C(=O)Nc1ccccc1)[NH+]1CCCCC1
InChIInChI=1S/C14H20N2O/c1-12(16-10-6-3-7-11-16)14(17)15-13-8-4-2-5-9-13/h2,4-5,8-9,12H,3,6-7,10-11H2,1H3,(H,15,17)/p+1/t12-/m1/s1
InChIKeyCMQADFZEKVVEKX-GFCCVEGCSA-O
MW233.34 g/mol
LogP1.08
Rot. Bonds3

About (2R)-N-phenyl-2-piperidin-1-ium-1-ylpropanamide

(2R)-N-phenyl-2-piperidin-1-ium-1-ylpropanamide (PubChem CID 7999786) has the molecular formula C14H21N2O+ and a molecular weight of 233.34 g/mol. Its IUPAC name is (2R)-N-phenyl-2-piperidin-1-ium-1-ylpropanamide.

Molecular Properties

Compound Name(2R)-N-phenyl-2-piperidin-1-ium-1-ylpropanamide
PubChem CID7999786
Molecular FormulaC14H21N2O+
Molecular Weight233.34 g/mol
Exact Mass233.16
IUPAC Name(2R)-N-phenyl-2-piperidin-1-ium-1-ylpropanamide
SMILESC[C@H](C(=O)Nc1ccccc1)[NH+]1CCCCC1
InChIInChI=1S/C14H20N2O/c1-12(16-10-6-3-7-11-16)14(17)15-13-8-4-2-5-9-13/h2,4-5,8-9,12H,3,6-7,10-11H2,1H3,(H,15,17)/p+1/t12-/m1/s1
InChIKeyCMQADFZEKVVEKX-GFCCVEGCSA-O
XLogP1.08
TPSA33.54 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.34
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

(2S)-N-(4-phenylmethoxyphenyl)-2-piperidin-1-ium-1-ylpropanamide
CID 7045428
(2R)-2-piperidin-1-ium-1-yl-N-(2-propan-2-ylphenyl)propanamide
CID 9249558
(2S)-2-(azepan-1-ium-1-yl)-N-(4-piperidin-1-ylphenyl)propanamide
CID 9267789
(2R)-2-[4-[2-oxo-2-(propan-2-ylamino)ethyl]piperazine-1,4-diium-1-yl]-N-phenylpropanamide
CID 8774135
(2S)-2-(azocan-1-ium-1-yl)-N-(4-ethoxyphenyl)propanamide
CID 9460347
(2R)-N-(4-ethoxyphenyl)-2-piperidin-1-ium-1-ylpropanamide
CID 9249538
(2R)-2-pyrrolidin-1-ium-1-yl-N-(3-sulfamoylphenyl)propanamide
CID 9274940
(2S)-2-pyrrolidin-1-ium-1-yl-N-(3-sulfamoylphenyl)propanamide
CID 9274937
(2R)-N-(4-ethoxyphenyl)-2-pyrrolidin-1-ium-1-ylpropanamide
CID 9274915
(2R)-2-(azepan-1-ium-1-yl)-N-(4-piperidin-1-ylsulfonylphenyl)propanamide
CID 9110381
(2S)-2-[4-[[(2S)-oxolan-2-yl]methyl]piperazine-1,4-diium-1-yl]-N-phenylpropanamide
CID 9268351
ethyl (3S)-1-[(2S)-1-anilino-1-oxopropan-2-yl]piperidin-1-ium-3-carboxylate
CID 8532046

Frequently Asked Questions

What is the IUPAC name of (2R)-N-phenyl-2-piperidin-1-ium-1-ylpropanamide?
The IUPAC name of (2R)-N-phenyl-2-piperidin-1-ium-1-ylpropanamide (CID 7999786) is (2R)-N-phenyl-2-piperidin-1-ium-1-ylpropanamide.
What is the SMILES notation for (2R)-N-phenyl-2-piperidin-1-ium-1-ylpropanamide?
The canonical SMILES for (2R)-N-phenyl-2-piperidin-1-ium-1-ylpropanamide is C[C@H](C(=O)Nc1ccccc1)[NH+]1CCCCC1.
What is the InChIKey of (2R)-N-phenyl-2-piperidin-1-ium-1-ylpropanamide?
The InChIKey is CMQADFZEKVVEKX-GFCCVEGCSA-O. The full InChI is InChI=1S/C14H20N2O/c1-12(16-10-6-3-7-11-16)14(17)15-13-8-4-2-5-9-13/h2,4-5,8-9,12H,3,6-7,10-11H2,1H3,(H,15,17)/p+1/t12-/m1/s1.
What are the key properties of (2R)-N-phenyl-2-piperidin-1-ium-1-ylpropanamide?
(2R)-N-phenyl-2-piperidin-1-ium-1-ylpropanamide has a molecular weight of 233.34 g/mol, XLogP of 1.08, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-phenyl-2-piperidin-1-ium-1-ylpropanamide is sourced from PubChem (CID 7999786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).