N-[2-amino-5-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-4-methylphenyl]acetamide

C16H25N3O — CID 99968976

IUPACN-[2-amino-5-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-4-methylphenyl]acetamide
SMILESCC(=O)Nc1cc(N2[C@@H](C)CCC[C@@H]2C)c(C)cc1N
InChIInChI=1S/C16H25N3O/c1-10-8-14(17)15(18-13(4)20)9-16(10)19-11(2)6-5-7-12(19)3/h8-9,11-12H,5-7,17H2,1-4H3,(H,18,20)/t11-,12-/m0/s1
InChIKeyXIVHQCCLBJLUJD-RYUDHWBXSA-N
MW275.40 g/mol
LogP3.30
Rot. Bonds2

About N-[2-amino-5-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-4-methylphenyl]acetamide

N-[2-amino-5-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-4-methylphenyl]acetamide (PubChem CID 99968976) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is N-[2-amino-5-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-4-methylphenyl]acetamide.

Molecular Properties

Compound NameN-[2-amino-5-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-4-methylphenyl]acetamide
PubChem CID99968976
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC NameN-[2-amino-5-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-4-methylphenyl]acetamide
SMILESCC(=O)Nc1cc(N2[C@@H](C)CCC[C@@H]2C)c(C)cc1N
InChIInChI=1S/C16H25N3O/c1-10-8-14(17)15(18-13(4)20)9-16(10)19-11(2)6-5-7-12(19)3/h8-9,11-12H,5-7,17H2,1-4H3,(H,18,20)/t11-,12-/m0/s1
InChIKeyXIVHQCCLBJLUJD-RYUDHWBXSA-N
XLogP3.30
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[2-amino-5-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-4-methylphenyl]propanamide
CID 99969020
N-[2-amino-5-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-4-methylphenyl]-2-methylpropanamide
CID 99969024
N-[2-amino-5-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-4-methylphenyl]-2-methylpropanamide
CID 99969022
N-[2-amino-4-methyl-5-[(2R)-2-methylpiperidin-1-yl]phenyl]acetamide
CID 99968968
N-[2-amino-5-(2,6-dimethylpiperidin-1-yl)-4-methylphenyl]-2-bromobenzamide
CID 91684052
N-[2-amino-5-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-4-methylphenyl]-3,4-dimethoxybenzamide
CID 100805539
N-[2-amino-5-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-4-methylphenyl]-2-methoxybenzamide
CID 100805564
2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-4,5-dimethylaniline
CID 129452350
N-[2-amino-4-methyl-5-[(2S)-2-methylpiperidin-1-yl]phenyl]-3,4-dichlorobenzamide
CID 100805509
N-[2-amino-4-methyl-5-[(3R)-3-methylpiperidin-1-yl]phenyl]-2-methylpropanamide
CID 99969006
N-[2-amino-4-methyl-5-[(2S)-2-methylpiperidin-1-yl]phenyl]-3-bromobenzamide
CID 100805457
N-[2-amino-5-(3,5-dimethylpiperidin-1-yl)-4-methylphenyl]-2,2-dimethylpropanamide
CID 91683936

Frequently Asked Questions

What is the IUPAC name of N-[2-amino-5-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-4-methylphenyl]acetamide?
The IUPAC name of N-[2-amino-5-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-4-methylphenyl]acetamide (CID 99968976) is N-[2-amino-5-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-4-methylphenyl]acetamide.
What is the SMILES notation for N-[2-amino-5-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-4-methylphenyl]acetamide?
The canonical SMILES for N-[2-amino-5-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-4-methylphenyl]acetamide is CC(=O)Nc1cc(N2[C@@H](C)CCC[C@@H]2C)c(C)cc1N.
What is the InChIKey of N-[2-amino-5-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-4-methylphenyl]acetamide?
The InChIKey is XIVHQCCLBJLUJD-RYUDHWBXSA-N. The full InChI is InChI=1S/C16H25N3O/c1-10-8-14(17)15(18-13(4)20)9-16(10)19-11(2)6-5-7-12(19)3/h8-9,11-12H,5-7,17H2,1-4H3,(H,18,20)/t11-,12-/m0/s1.
What are the key properties of N-[2-amino-5-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-4-methylphenyl]acetamide?
N-[2-amino-5-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-4-methylphenyl]acetamide has a molecular weight of 275.40 g/mol, XLogP of 3.30, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-amino-5-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-4-methylphenyl]acetamide is sourced from PubChem (CID 99968976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).