N-[2-amino-4-methyl-5-[(2R)-2-methylpiperidin-1-yl]phenyl]acetamide

C15H23N3O — CID 99968968

IUPACN-[2-amino-4-methyl-5-[(2R)-2-methylpiperidin-1-yl]phenyl]acetamide
SMILESCC(=O)Nc1cc(N2CCCC[C@H]2C)c(C)cc1N
InChIInChI=1S/C15H23N3O/c1-10-8-13(16)14(17-12(3)19)9-15(10)18-7-5-4-6-11(18)2/h8-9,11H,4-7,16H2,1-3H3,(H,17,19)/t11-/m1/s1
InChIKeyXXFBWQUMHYVBHC-LLVKDONJSA-N
MW261.37 g/mol
LogP2.91
Rot. Bonds2

About N-[2-amino-4-methyl-5-[(2R)-2-methylpiperidin-1-yl]phenyl]acetamide

N-[2-amino-4-methyl-5-[(2R)-2-methylpiperidin-1-yl]phenyl]acetamide (PubChem CID 99968968) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is N-[2-amino-4-methyl-5-[(2R)-2-methylpiperidin-1-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[2-amino-4-methyl-5-[(2R)-2-methylpiperidin-1-yl]phenyl]acetamide
PubChem CID99968968
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC NameN-[2-amino-4-methyl-5-[(2R)-2-methylpiperidin-1-yl]phenyl]acetamide
SMILESCC(=O)Nc1cc(N2CCCC[C@H]2C)c(C)cc1N
InChIInChI=1S/C15H23N3O/c1-10-8-13(16)14(17-12(3)19)9-15(10)18-7-5-4-6-11(18)2/h8-9,11H,4-7,16H2,1-3H3,(H,17,19)/t11-/m1/s1
InChIKeyXXFBWQUMHYVBHC-LLVKDONJSA-N
XLogP2.91
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.91
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-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-4-methylphenyl]acetamide
CID 99968976
N-[2-amino-4-methyl-5-[(2S)-2-methylpiperidin-1-yl]phenyl]-3,4-dichlorobenzamide
CID 100805509
N-[2-amino-4-methyl-5-[(2S)-2-methylpiperidin-1-yl]phenyl]-3-bromobenzamide
CID 100805457
4,5-dimethyl-2-[(2S)-2-methylpiperidin-1-yl]aniline
CID 94675572
N-[2-amino-5-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-4-methylphenyl]-2-methylpropanamide
CID 99969024
N-[2-amino-5-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-4-methylphenyl]propanamide
CID 99969020
N-[2-amino-5-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-4-methylphenyl]-2-methylpropanamide
CID 99969022
4-methyl-5-[(2R)-2-methylpiperidin-1-yl]-2-nitroaniline
CID 99968922
N-[4-amino-2-chloro-5-(2-methylpiperidin-1-yl)phenyl]-4-methylbenzamide
CID 50881212
2-methyl-4-(2-methylpiperidin-1-yl)aniline
CID 43384883
N-[4-amino-2-chloro-5-[(2S)-2-methylpiperidin-1-yl]phenyl]-2-chlorobenzamide
CID 95733324
N-(2-amino-4-methylphenyl)-2-(2-methylpiperidin-1-yl)-2-oxoacetamide
CID 108523458

Frequently Asked Questions

What is the IUPAC name of N-[2-amino-4-methyl-5-[(2R)-2-methylpiperidin-1-yl]phenyl]acetamide?
The IUPAC name of N-[2-amino-4-methyl-5-[(2R)-2-methylpiperidin-1-yl]phenyl]acetamide (CID 99968968) is N-[2-amino-4-methyl-5-[(2R)-2-methylpiperidin-1-yl]phenyl]acetamide.
What is the SMILES notation for N-[2-amino-4-methyl-5-[(2R)-2-methylpiperidin-1-yl]phenyl]acetamide?
The canonical SMILES for N-[2-amino-4-methyl-5-[(2R)-2-methylpiperidin-1-yl]phenyl]acetamide is CC(=O)Nc1cc(N2CCCC[C@H]2C)c(C)cc1N.
What is the InChIKey of N-[2-amino-4-methyl-5-[(2R)-2-methylpiperidin-1-yl]phenyl]acetamide?
The InChIKey is XXFBWQUMHYVBHC-LLVKDONJSA-N. The full InChI is InChI=1S/C15H23N3O/c1-10-8-13(16)14(17-12(3)19)9-15(10)18-7-5-4-6-11(18)2/h8-9,11H,4-7,16H2,1-3H3,(H,17,19)/t11-/m1/s1.
What are the key properties of N-[2-amino-4-methyl-5-[(2R)-2-methylpiperidin-1-yl]phenyl]acetamide?
N-[2-amino-4-methyl-5-[(2R)-2-methylpiperidin-1-yl]phenyl]acetamide has a molecular weight of 261.37 g/mol, XLogP of 2.91, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-amino-4-methyl-5-[(2R)-2-methylpiperidin-1-yl]phenyl]acetamide is sourced from PubChem (CID 99968968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).