(2S)-1-[2-(4-benzylpiperidin-1-ium-1-yl)acetyl]piperidine-2-carboxamide

C20H30N3O2+ — CID 9430527

IUPAC(2S)-1-[2-(4-benzylpiperidin-1-ium-1-yl)acetyl]piperidine-2-carboxamide
SMILESNC(=O)[C@@H]1CCCCN1C(=O)C[NH+]1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C20H29N3O2/c21-20(25)18-8-4-5-11-23(18)19(24)15-22-12-9-17(10-13-22)14-16-6-2-1-3-7-16/h1-3,6-7,17-18H,4-5,8-15H2,(H2,21,25)/p+1/t18-/m0/s1
InChIKeyOQDLGLDPMWHHOW-SFHVURJKSA-O
MW344.48 g/mol
LogP0.39
Rot. Bonds5

About (2S)-1-[2-(4-benzylpiperidin-1-ium-1-yl)acetyl]piperidine-2-carboxamide

(2S)-1-[2-(4-benzylpiperidin-1-ium-1-yl)acetyl]piperidine-2-carboxamide (PubChem CID 9430527) has the molecular formula C20H30N3O2+ and a molecular weight of 344.48 g/mol. Its IUPAC name is (2S)-1-[2-(4-benzylpiperidin-1-ium-1-yl)acetyl]piperidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-[2-(4-benzylpiperidin-1-ium-1-yl)acetyl]piperidine-2-carboxamide
PubChem CID9430527
Molecular FormulaC20H30N3O2+
Molecular Weight344.48 g/mol
Exact Mass344.23
IUPAC Name(2S)-1-[2-(4-benzylpiperidin-1-ium-1-yl)acetyl]piperidine-2-carboxamide
SMILESNC(=O)[C@@H]1CCCCN1C(=O)C[NH+]1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C20H29N3O2/c21-20(25)18-8-4-5-11-23(18)19(24)15-22-12-9-17(10-13-22)14-16-6-2-1-3-7-16/h1-3,6-7,17-18H,4-5,8-15H2,(H2,21,25)/p+1/t18-/m0/s1
InChIKeyOQDLGLDPMWHHOW-SFHVURJKSA-O
XLogP0.39
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.48
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-1-[2-(4-benzoylpiperazin-1-ium-1-yl)acetyl]piperidine-2-carboxamide
CID 8597114
2-(4-benzylpiperidin-1-ium-1-yl)acetamide
CID 40636152
(2S)-1-[2-[4-(2-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]acetyl]piperidine-2-carboxamide
CID 8690165
1-(2-anilinoacetyl)piperidine-2-carboxamide
CID 54940061
2-[2-(2-carbamoylpyrrolidin-1-yl)-2-oxoethyl]benzoic acid
CID 71692047
(2S)-1-[2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]acetyl]piperidine-2-carboxamide
CID 8694220
2-(4-benzylpiperidin-1-ium-1-yl)-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone
CID 8543374
[2-[(2R)-2-carbamoylpiperidin-1-yl]-2-oxoethyl] 2-(4-phenylphenyl)acetate
CID 9019324
1-(2-anilinoacetyl)pyrrolidine-2-carboxamide
CID 60860590
(2R)-1-[2-(2-chlorophenyl)sulfanylacetyl]piperidine-2-carboxamide
CID 9199923
[2-[(2S)-2-carbamoylpiperidin-1-yl]-2-oxoethyl] 4-benzoylbenzoate
CID 8808423
4-(2-carbamoylpiperidin-1-yl)-4-oxobutanoic acid
CID 43222532

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[2-(4-benzylpiperidin-1-ium-1-yl)acetyl]piperidine-2-carboxamide?
The IUPAC name of (2S)-1-[2-(4-benzylpiperidin-1-ium-1-yl)acetyl]piperidine-2-carboxamide (CID 9430527) is (2S)-1-[2-(4-benzylpiperidin-1-ium-1-yl)acetyl]piperidine-2-carboxamide.
What is the SMILES notation for (2S)-1-[2-(4-benzylpiperidin-1-ium-1-yl)acetyl]piperidine-2-carboxamide?
The canonical SMILES for (2S)-1-[2-(4-benzylpiperidin-1-ium-1-yl)acetyl]piperidine-2-carboxamide is NC(=O)[C@@H]1CCCCN1C(=O)C[NH+]1CCC(Cc2ccccc2)CC1.
What is the InChIKey of (2S)-1-[2-(4-benzylpiperidin-1-ium-1-yl)acetyl]piperidine-2-carboxamide?
The InChIKey is OQDLGLDPMWHHOW-SFHVURJKSA-O. The full InChI is InChI=1S/C20H29N3O2/c21-20(25)18-8-4-5-11-23(18)19(24)15-22-12-9-17(10-13-22)14-16-6-2-1-3-7-16/h1-3,6-7,17-18H,4-5,8-15H2,(H2,21,25)/p+1/t18-/m0/s1.
What are the key properties of (2S)-1-[2-(4-benzylpiperidin-1-ium-1-yl)acetyl]piperidine-2-carboxamide?
(2S)-1-[2-(4-benzylpiperidin-1-ium-1-yl)acetyl]piperidine-2-carboxamide has a molecular weight of 344.48 g/mol, XLogP of 0.39, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[2-(4-benzylpiperidin-1-ium-1-yl)acetyl]piperidine-2-carboxamide is sourced from PubChem (CID 9430527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).