[(3S)-1-(naphthalen-1-ylmethyl)piperidin-1-ium-3-yl]-piperidin-1-ylmethanone

C22H29N2O+ — CID 7344787

IUPAC[(3S)-1-(naphthalen-1-ylmethyl)piperidin-1-ium-3-yl]-piperidin-1-ylmethanone
SMILESO=C([C@H]1CCC[NH+](Cc2cccc3ccccc23)C1)N1CCCCC1
InChIInChI=1S/C22H28N2O/c25-22(24-14-4-1-5-15-24)20-11-7-13-23(17-20)16-19-10-6-9-18-8-2-3-12-21(18)19/h2-3,6,8-10,12,20H,1,4-5,7,11,13-17H2/p+1/t20-/m0/s1
InChIKeyDKAZKQVGVCZXNP-FQEVSTJZSA-O
MW337.49 g/mol
LogP2.65
Rot. Bonds3

About [(3S)-1-(naphthalen-1-ylmethyl)piperidin-1-ium-3-yl]-piperidin-1-ylmethanone

[(3S)-1-(naphthalen-1-ylmethyl)piperidin-1-ium-3-yl]-piperidin-1-ylmethanone (PubChem CID 7344787) has the molecular formula C22H29N2O+ and a molecular weight of 337.49 g/mol. Its IUPAC name is [(3S)-1-(naphthalen-1-ylmethyl)piperidin-1-ium-3-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[(3S)-1-(naphthalen-1-ylmethyl)piperidin-1-ium-3-yl]-piperidin-1-ylmethanone
PubChem CID7344787
Molecular FormulaC22H29N2O+
Molecular Weight337.49 g/mol
Exact Mass337.23
IUPAC Name[(3S)-1-(naphthalen-1-ylmethyl)piperidin-1-ium-3-yl]-piperidin-1-ylmethanone
SMILESO=C([C@H]1CCC[NH+](Cc2cccc3ccccc23)C1)N1CCCCC1
InChIInChI=1S/C22H28N2O/c25-22(24-14-4-1-5-15-24)20-11-7-13-23(17-20)16-19-10-6-9-18-8-2-3-12-21(18)19/h2-3,6,8-10,12,20H,1,4-5,7,11,13-17H2/p+1/t20-/m0/s1
InChIKeyDKAZKQVGVCZXNP-FQEVSTJZSA-O
XLogP2.65
TPSA24.75 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.49
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze [(3S)-1-(naphthalen-1-ylmethyl)piperidin-1-ium-3-yl]-piperidin-1-ylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

azepan-1-yl-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-1-ium-3-yl]methanone
CID 7472159
azepan-1-yl-[1-[(2-methylphenyl)methyl]piperidin-1-ium-3-yl]methanone
CID 4746131
azepan-1-yl-[1-(1H-indol-3-ylmethyl)piperidin-1-ium-3-yl]methanone
CID 4746245
[1-[(2-methoxyphenyl)methyl]piperidin-1-ium-3-yl]-piperidin-1-ylmethanone
CID 4746691
[(3R)-1-[(3-chlorophenyl)methyl]piperidin-1-ium-3-yl]-piperidin-1-ylmethanone
CID 7344773
(3S)-1-(naphthalen-1-ylmethyl)piperidin-1-ium-3-ol
CID 6939510
azepan-1-yl-[(3R)-1-(furan-2-ylmethyl)piperidin-1-ium-3-yl]methanone
CID 1398985
azepan-1-yl-[(3S)-1-[(9-ethylcarbazol-3-yl)methyl]piperidin-1-ium-3-yl]methanone
CID 7114273
[1-[(2-hydroxyphenyl)methyl]piperidin-1-ium-4-yl]-piperidin-1-ylmethanone
CID 7297487
piperidin-1-yl-[(3S)-1-[(2,4,5-trimethoxyphenyl)methyl]piperidin-1-ium-3-yl]methanone
CID 1389078
azepan-1-yl-[(3S)-1-(3-phenylpropyl)piperidin-1-ium-3-yl]methanone
CID 7344238
cyclobutyl-[4-(naphthalen-1-ylmethyl)-1,4-diazepan-1-yl]methanone
CID 171329068

Frequently Asked Questions

What is the IUPAC name of [(3S)-1-(naphthalen-1-ylmethyl)piperidin-1-ium-3-yl]-piperidin-1-ylmethanone?
The IUPAC name of [(3S)-1-(naphthalen-1-ylmethyl)piperidin-1-ium-3-yl]-piperidin-1-ylmethanone (CID 7344787) is [(3S)-1-(naphthalen-1-ylmethyl)piperidin-1-ium-3-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [(3S)-1-(naphthalen-1-ylmethyl)piperidin-1-ium-3-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [(3S)-1-(naphthalen-1-ylmethyl)piperidin-1-ium-3-yl]-piperidin-1-ylmethanone is O=C([C@H]1CCC[NH+](Cc2cccc3ccccc23)C1)N1CCCCC1.
What is the InChIKey of [(3S)-1-(naphthalen-1-ylmethyl)piperidin-1-ium-3-yl]-piperidin-1-ylmethanone?
The InChIKey is DKAZKQVGVCZXNP-FQEVSTJZSA-O. The full InChI is InChI=1S/C22H28N2O/c25-22(24-14-4-1-5-15-24)20-11-7-13-23(17-20)16-19-10-6-9-18-8-2-3-12-21(18)19/h2-3,6,8-10,12,20H,1,4-5,7,11,13-17H2/p+1/t20-/m0/s1.
What are the key properties of [(3S)-1-(naphthalen-1-ylmethyl)piperidin-1-ium-3-yl]-piperidin-1-ylmethanone?
[(3S)-1-(naphthalen-1-ylmethyl)piperidin-1-ium-3-yl]-piperidin-1-ylmethanone has a molecular weight of 337.49 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-1-(naphthalen-1-ylmethyl)piperidin-1-ium-3-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 7344787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).