(3S)-1-(naphthalen-2-ylmethyl)piperidin-1-ium-3-carboxamide

C17H21N2O+ — CID 6938276

IUPAC(3S)-1-(naphthalen-2-ylmethyl)piperidin-1-ium-3-carboxamide
SMILESNC(=O)[C@H]1CCC[NH+](Cc2ccc3ccccc3c2)C1
InChIInChI=1S/C17H20N2O/c18-17(20)16-6-3-9-19(12-16)11-13-7-8-14-4-1-2-5-15(14)10-13/h1-2,4-5,7-8,10,16H,3,6,9,11-12H2,(H2,18,20)/p+1/t16-/m0/s1
InChIKeyFVNDYMXSBAPSHU-INIZCTEOSA-O
MW269.37 g/mol
LogP1.12
Rot. Bonds3

About (3S)-1-(naphthalen-2-ylmethyl)piperidin-1-ium-3-carboxamide

(3S)-1-(naphthalen-2-ylmethyl)piperidin-1-ium-3-carboxamide (PubChem CID 6938276) has the molecular formula C17H21N2O+ and a molecular weight of 269.37 g/mol. Its IUPAC name is (3S)-1-(naphthalen-2-ylmethyl)piperidin-1-ium-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-(naphthalen-2-ylmethyl)piperidin-1-ium-3-carboxamide
PubChem CID6938276
Molecular FormulaC17H21N2O+
Molecular Weight269.37 g/mol
Exact Mass269.16
IUPAC Name(3S)-1-(naphthalen-2-ylmethyl)piperidin-1-ium-3-carboxamide
SMILESNC(=O)[C@H]1CCC[NH+](Cc2ccc3ccccc3c2)C1
InChIInChI=1S/C17H20N2O/c18-17(20)16-6-3-9-19(12-16)11-13-7-8-14-4-1-2-5-15(14)10-13/h1-2,4-5,7-8,10,16H,3,6,9,11-12H2,(H2,18,20)/p+1/t16-/m0/s1
InChIKeyFVNDYMXSBAPSHU-INIZCTEOSA-O
XLogP1.12
TPSA47.53 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

ethyl (3R)-1-[(4-phenylphenyl)methyl]piperidin-1-ium-3-carboxylate
CID 6940010
1-cyclooctyl-2-naphthalen-2-ylethanone
CID 65018574
(3S)-1-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperidin-1-ium-3-carboxamide
CID 8543456
(3S)-1-[2-[(3-chlorophenyl)methylamino]-2-oxoethyl]piperidin-1-ium-3-carboxamide
CID 9306029
ethyl (3S)-1-(1,3-benzodioxol-5-ylmethyl)piperidin-1-ium-3-carboxylate
CID 6983177
[(3R)-1-[(3-chlorophenyl)methyl]piperidin-1-ium-3-yl]-piperidin-1-ylmethanone
CID 7344773
(3S)-1-[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl]piperidin-1-ium-3-carboxamide
CID 9306099
(3R)-1-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]piperidin-1-ium-3-carboxamide
CID 8545953
ethyl (3S)-1-[[3-(4-chlorophenoxy)phenyl]methyl]piperidin-1-ium-3-carboxylate
CID 7446373
1-[(4-fluorophenyl)methyl]-4-(naphthalen-2-ylmethyl)piperazine-1,4-diium
CID 4744293
(3R)-1-[2-(3,4-dichloroanilino)-2-oxoethyl]piperidin-1-ium-3-carboxamide
CID 9305299
(3S)-1-[2-(3,4-dichloroanilino)-2-oxoethyl]piperidin-1-ium-3-carboxamide
CID 9305296

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(naphthalen-2-ylmethyl)piperidin-1-ium-3-carboxamide?
The IUPAC name of (3S)-1-(naphthalen-2-ylmethyl)piperidin-1-ium-3-carboxamide (CID 6938276) is (3S)-1-(naphthalen-2-ylmethyl)piperidin-1-ium-3-carboxamide.
What is the SMILES notation for (3S)-1-(naphthalen-2-ylmethyl)piperidin-1-ium-3-carboxamide?
The canonical SMILES for (3S)-1-(naphthalen-2-ylmethyl)piperidin-1-ium-3-carboxamide is NC(=O)[C@H]1CCC[NH+](Cc2ccc3ccccc3c2)C1.
What is the InChIKey of (3S)-1-(naphthalen-2-ylmethyl)piperidin-1-ium-3-carboxamide?
The InChIKey is FVNDYMXSBAPSHU-INIZCTEOSA-O. The full InChI is InChI=1S/C17H20N2O/c18-17(20)16-6-3-9-19(12-16)11-13-7-8-14-4-1-2-5-15(14)10-13/h1-2,4-5,7-8,10,16H,3,6,9,11-12H2,(H2,18,20)/p+1/t16-/m0/s1.
What are the key properties of (3S)-1-(naphthalen-2-ylmethyl)piperidin-1-ium-3-carboxamide?
(3S)-1-(naphthalen-2-ylmethyl)piperidin-1-ium-3-carboxamide has a molecular weight of 269.37 g/mol, XLogP of 1.12, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(naphthalen-2-ylmethyl)piperidin-1-ium-3-carboxamide is sourced from PubChem (CID 6938276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).