(2R)-2-piperidin-1-ium-1-yl-N-(2-propan-2-ylphenyl)propanamide

C17H27N2O+ — CID 9249558

IUPAC(2R)-2-piperidin-1-ium-1-yl-N-(2-propan-2-ylphenyl)propanamide
SMILESCC(C)c1ccccc1NC(=O)[C@@H](C)[NH+]1CCCCC1
InChIInChI=1S/C17H26N2O/c1-13(2)15-9-5-6-10-16(15)18-17(20)14(3)19-11-7-4-8-12-19/h5-6,9-10,13-14H,4,7-8,11-12H2,1-3H3,(H,18,20)/p+1/t14-/m1/s1
InChIKeyZIFAWUJCBRODOB-CQSZACIVSA-O
MW275.42 g/mol
LogP2.21
Rot. Bonds4

About (2R)-2-piperidin-1-ium-1-yl-N-(2-propan-2-ylphenyl)propanamide

(2R)-2-piperidin-1-ium-1-yl-N-(2-propan-2-ylphenyl)propanamide (PubChem CID 9249558) has the molecular formula C17H27N2O+ and a molecular weight of 275.42 g/mol. Its IUPAC name is (2R)-2-piperidin-1-ium-1-yl-N-(2-propan-2-ylphenyl)propanamide.

Molecular Properties

Compound Name(2R)-2-piperidin-1-ium-1-yl-N-(2-propan-2-ylphenyl)propanamide
PubChem CID9249558
Molecular FormulaC17H27N2O+
Molecular Weight275.42 g/mol
Exact Mass275.21
IUPAC Name(2R)-2-piperidin-1-ium-1-yl-N-(2-propan-2-ylphenyl)propanamide
SMILESCC(C)c1ccccc1NC(=O)[C@@H](C)[NH+]1CCCCC1
InChIInChI=1S/C17H26N2O/c1-13(2)15-9-5-6-10-16(15)18-17(20)14(3)19-11-7-4-8-12-19/h5-6,9-10,13-14H,4,7-8,11-12H2,1-3H3,(H,18,20)/p+1/t14-/m1/s1
InChIKeyZIFAWUJCBRODOB-CQSZACIVSA-O
XLogP2.21
TPSA33.54 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.42
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

(2R)-N-phenyl-2-piperidin-1-ium-1-ylpropanamide
CID 7999786
(2R)-2-(azocan-1-ium-1-yl)-N-(3-chloro-2-methylphenyl)propanamide
CID 9460387
(2S)-2-(azocan-1-ium-1-yl)-N-(2,3,4-trifluorophenyl)propanamide
CID 2655375
(2R)-2-(azocan-1-yl)-N-(2-propan-2-ylphenyl)propanamide
CID 9460394
(2S)-2-(azepan-1-ium-1-yl)-N-(2,4-difluorophenyl)propanamide
CID 9249899
(2S)-2-(4-benzoylpiperazin-1-ium-1-yl)-N-[2-[(2R)-butan-2-yl]phenyl]propanamide
CID 9223233
(2S)-N-(2,5-difluorophenyl)-2-pyrrolidin-1-ium-1-ylpropanamide
CID 9274967
1-(cyclohexylidenemethyl)-3-(2-propan-2-ylphenyl)urea
CID 108912386
2-methoxy-N-(2-propan-2-ylphenyl)propanamide
CID 86811936
(3S)-1-[(2R)-1-[2-[(2R)-butan-2-yl]anilino]-1-oxopropan-2-yl]piperidin-1-ium-3-carboxamide
CID 9304837
(2R)-2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]-N-[2-[(2S)-butan-2-yl]phenyl]propanamide
CID 8743302
(2S)-2-(azepan-1-ium-1-yl)-N-(2-methoxy-5-methylphenyl)propanamide
CID 9249893

Frequently Asked Questions

What is the IUPAC name of (2R)-2-piperidin-1-ium-1-yl-N-(2-propan-2-ylphenyl)propanamide?
The IUPAC name of (2R)-2-piperidin-1-ium-1-yl-N-(2-propan-2-ylphenyl)propanamide (CID 9249558) is (2R)-2-piperidin-1-ium-1-yl-N-(2-propan-2-ylphenyl)propanamide.
What is the SMILES notation for (2R)-2-piperidin-1-ium-1-yl-N-(2-propan-2-ylphenyl)propanamide?
The canonical SMILES for (2R)-2-piperidin-1-ium-1-yl-N-(2-propan-2-ylphenyl)propanamide is CC(C)c1ccccc1NC(=O)[C@@H](C)[NH+]1CCCCC1.
What is the InChIKey of (2R)-2-piperidin-1-ium-1-yl-N-(2-propan-2-ylphenyl)propanamide?
The InChIKey is ZIFAWUJCBRODOB-CQSZACIVSA-O. The full InChI is InChI=1S/C17H26N2O/c1-13(2)15-9-5-6-10-16(15)18-17(20)14(3)19-11-7-4-8-12-19/h5-6,9-10,13-14H,4,7-8,11-12H2,1-3H3,(H,18,20)/p+1/t14-/m1/s1.
What are the key properties of (2R)-2-piperidin-1-ium-1-yl-N-(2-propan-2-ylphenyl)propanamide?
(2R)-2-piperidin-1-ium-1-yl-N-(2-propan-2-ylphenyl)propanamide has a molecular weight of 275.42 g/mol, XLogP of 2.21, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-piperidin-1-ium-1-yl-N-(2-propan-2-ylphenyl)propanamide is sourced from PubChem (CID 9249558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).