(2S)-N-(1-adamantylcarbamoyl)-2-piperidin-1-ium-1-ylpropanamide

C19H32N3O2+ — CID 9345874

IUPAC(2S)-N-(1-adamantylcarbamoyl)-2-piperidin-1-ium-1-ylpropanamide
SMILESCC(C(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2)[NH+]1CCCCC1
InChIInChI=1S/C19H31N3O2/c1-13(22-5-3-2-4-6-22)17(23)20-18(24)21-19-10-14-7-15(11-19)9-16(8-14)12-19/h13-16H,2-12H2,1H3,(H2,20,21,23,24)/p+1
InChIKeySRENOJTZVLVENH-UHFFFAOYSA-O
MW334.48 g/mol
LogP1.24
Rot. Bonds3

About (2S)-N-(1-adamantylcarbamoyl)-2-piperidin-1-ium-1-ylpropanamide

(2S)-N-(1-adamantylcarbamoyl)-2-piperidin-1-ium-1-ylpropanamide (PubChem CID 9345874) has the molecular formula C19H32N3O2+ and a molecular weight of 334.48 g/mol. Its IUPAC name is (2S)-N-(1-adamantylcarbamoyl)-2-piperidin-1-ium-1-ylpropanamide.

Molecular Properties

Compound Name(2S)-N-(1-adamantylcarbamoyl)-2-piperidin-1-ium-1-ylpropanamide
PubChem CID9345874
Molecular FormulaC19H32N3O2+
Molecular Weight334.48 g/mol
Exact Mass334.25
IUPAC Name(2S)-N-(1-adamantylcarbamoyl)-2-piperidin-1-ium-1-ylpropanamide
SMILESCC(C(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2)[NH+]1CCCCC1
InChIInChI=1S/C19H31N3O2/c1-13(22-5-3-2-4-6-22)17(23)20-18(24)21-19-10-14-7-15(11-19)9-16(8-14)12-19/h13-16H,2-12H2,1H3,(H2,20,21,23,24)/p+1
InChIKeySRENOJTZVLVENH-UHFFFAOYSA-O
XLogP1.24
TPSA62.64 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.48
LogP ≤ 51.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-(1-adamantylcarbamoyl)-2-piperidin-1-ium-1-ylpropanamide?
The IUPAC name of (2S)-N-(1-adamantylcarbamoyl)-2-piperidin-1-ium-1-ylpropanamide (CID 9345874) is (2S)-N-(1-adamantylcarbamoyl)-2-piperidin-1-ium-1-ylpropanamide.
What is the SMILES notation for (2S)-N-(1-adamantylcarbamoyl)-2-piperidin-1-ium-1-ylpropanamide?
The canonical SMILES for (2S)-N-(1-adamantylcarbamoyl)-2-piperidin-1-ium-1-ylpropanamide is CC(C(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2)[NH+]1CCCCC1.
What is the InChIKey of (2S)-N-(1-adamantylcarbamoyl)-2-piperidin-1-ium-1-ylpropanamide?
The InChIKey is SRENOJTZVLVENH-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H31N3O2/c1-13(22-5-3-2-4-6-22)17(23)20-18(24)21-19-10-14-7-15(11-19)9-16(8-14)12-19/h13-16H,2-12H2,1H3,(H2,20,21,23,24)/p+1.
What are the key properties of (2S)-N-(1-adamantylcarbamoyl)-2-piperidin-1-ium-1-ylpropanamide?
(2S)-N-(1-adamantylcarbamoyl)-2-piperidin-1-ium-1-ylpropanamide has a molecular weight of 334.48 g/mol, XLogP of 1.24, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(1-adamantylcarbamoyl)-2-piperidin-1-ium-1-ylpropanamide is sourced from PubChem (CID 9345874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).