1-[2-(N-methylanilino)-2-oxoethyl]piperidin-1-ium-4-carboxamide

C15H22N3O2+ — CID 8556648

IUPAC1-[2-(N-methylanilino)-2-oxoethyl]piperidin-1-ium-4-carboxamide
SMILESCN(C(=O)C[NH+]1CCC(C(N)=O)CC1)c1ccccc1
InChIInChI=1S/C15H21N3O2/c1-17(13-5-3-2-4-6-13)14(19)11-18-9-7-12(8-10-18)15(16)20/h2-6,12H,7-11H2,1H3,(H2,16,20)/p+1
InChIKeyQYPUGCQIJWSXMD-UHFFFAOYSA-O
MW276.36 g/mol
LogP-0.57
Rot. Bonds4

About 1-[2-(N-methylanilino)-2-oxoethyl]piperidin-1-ium-4-carboxamide

1-[2-(N-methylanilino)-2-oxoethyl]piperidin-1-ium-4-carboxamide (PubChem CID 8556648) has the molecular formula C15H22N3O2+ and a molecular weight of 276.36 g/mol. Its IUPAC name is 1-[2-(N-methylanilino)-2-oxoethyl]piperidin-1-ium-4-carboxamide.

Molecular Properties

Compound Name1-[2-(N-methylanilino)-2-oxoethyl]piperidin-1-ium-4-carboxamide
PubChem CID8556648
Molecular FormulaC15H22N3O2+
Molecular Weight276.36 g/mol
Exact Mass276.17
IUPAC Name1-[2-(N-methylanilino)-2-oxoethyl]piperidin-1-ium-4-carboxamide
SMILESCN(C(=O)C[NH+]1CCC(C(N)=O)CC1)c1ccccc1
InChIInChI=1S/C15H21N3O2/c1-17(13-5-3-2-4-6-13)14(19)11-18-9-7-12(8-10-18)15(16)20/h2-6,12H,7-11H2,1H3,(H2,16,20)/p+1
InChIKeyQYPUGCQIJWSXMD-UHFFFAOYSA-O
XLogP-0.57
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 5-0.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-N-phenyl-2-[4-[(E)-3-phenylprop-2-enyl]piperazine-1,4-diium-1-yl]acetamide
CID 8544773
1-[2-[benzyl(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]piperidin-1-ium-4-carboxamide
CID 8557237
1-[2-[(3-methoxyphenyl)methyl-methylamino]-2-oxoethyl]piperidin-1-ium-4-carboxamide
CID 8530716
1-[[4-(dimethylamino)phenyl]methyl]piperidin-1-ium-4-carboxamide
CID 6966405
1-[2-(2-methylsulfanylanilino)-2-oxoethyl]piperidin-1-ium-4-carboxamide
CID 8531098
3-amino-N-methyl-N-phenyl-3-sulfanylidenepropanamide
CID 28942333
2-[acetyl(cyclopropyl)amino]-N-methyl-N-phenylacetamide
CID 113158391
1-[2-oxo-2-(4-phenyldiazenylanilino)ethyl]piperidin-1-ium-4-carboxamide
CID 8531125
1-[2-(2-methylphenoxy)ethyl]piperidin-1-ium-4-carboxamide
CID 9442881
2-(cyclopropylmethylamino)-N-methyl-N-phenylacetamide
CID 60842442
2-[(3S)-3-amino-2-oxoazepan-1-yl]-N-methyl-N-phenylacetamide
CID 155290574
3-hydroxy-N-methyl-N-phenylpropanamide
CID 82111467

Frequently Asked Questions

What is the IUPAC name of 1-[2-(N-methylanilino)-2-oxoethyl]piperidin-1-ium-4-carboxamide?
The IUPAC name of 1-[2-(N-methylanilino)-2-oxoethyl]piperidin-1-ium-4-carboxamide (CID 8556648) is 1-[2-(N-methylanilino)-2-oxoethyl]piperidin-1-ium-4-carboxamide.
What is the SMILES notation for 1-[2-(N-methylanilino)-2-oxoethyl]piperidin-1-ium-4-carboxamide?
The canonical SMILES for 1-[2-(N-methylanilino)-2-oxoethyl]piperidin-1-ium-4-carboxamide is CN(C(=O)C[NH+]1CCC(C(N)=O)CC1)c1ccccc1.
What is the InChIKey of 1-[2-(N-methylanilino)-2-oxoethyl]piperidin-1-ium-4-carboxamide?
The InChIKey is QYPUGCQIJWSXMD-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H21N3O2/c1-17(13-5-3-2-4-6-13)14(19)11-18-9-7-12(8-10-18)15(16)20/h2-6,12H,7-11H2,1H3,(H2,16,20)/p+1.
What are the key properties of 1-[2-(N-methylanilino)-2-oxoethyl]piperidin-1-ium-4-carboxamide?
1-[2-(N-methylanilino)-2-oxoethyl]piperidin-1-ium-4-carboxamide has a molecular weight of 276.36 g/mol, XLogP of -0.57, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(N-methylanilino)-2-oxoethyl]piperidin-1-ium-4-carboxamide is sourced from PubChem (CID 8556648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).