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

C18H29N3O — CID 99969022

IUPACN-[2-amino-5-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-4-methylphenyl]-2-methylpropanamide
SMILESCc1cc(N)c(NC(=O)C(C)C)cc1N1[C@@H](C)CCC[C@@H]1C
InChIInChI=1S/C18H29N3O/c1-11(2)18(22)20-16-10-17(12(3)9-15(16)19)21-13(4)7-6-8-14(21)5/h9-11,13-14H,6-8,19H2,1-5H3,(H,20,22)/t13-,14-/m0/s1
InChIKeyJWHLRCGJUSDCAK-KBPBESRZSA-N
MW303.45 g/mol
LogP3.94
Rot. Bonds3

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

N-[2-amino-5-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-4-methylphenyl]-2-methylpropanamide (PubChem CID 99969022) has the molecular formula C18H29N3O and a molecular weight of 303.45 g/mol. Its IUPAC name is N-[2-amino-5-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-4-methylphenyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[2-amino-5-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-4-methylphenyl]-2-methylpropanamide
PubChem CID99969022
Molecular FormulaC18H29N3O
Molecular Weight303.45 g/mol
Exact Mass303.23
IUPAC NameN-[2-amino-5-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-4-methylphenyl]-2-methylpropanamide
SMILESCc1cc(N)c(NC(=O)C(C)C)cc1N1[C@@H](C)CCC[C@@H]1C
InChIInChI=1S/C18H29N3O/c1-11(2)18(22)20-16-10-17(12(3)9-15(16)19)21-13(4)7-6-8-14(21)5/h9-11,13-14H,6-8,19H2,1-5H3,(H,20,22)/t13-,14-/m0/s1
InChIKeyJWHLRCGJUSDCAK-KBPBESRZSA-N
XLogP3.94
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 53.94
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,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]acetamide
CID 99968976
N-[2-amino-5-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-4-methylphenyl]propanamide
CID 99969020
N-[2-amino-4-methyl-5-[(3R)-3-methylpiperidin-1-yl]phenyl]-2-methylpropanamide
CID 99969006
N-[2-amino-5-(2,6-dimethylpiperidin-1-yl)-4-methylphenyl]-2-bromobenzamide
CID 91684052
N-[2-amino-5-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-4-methylphenyl]-2-methoxybenzamide
CID 100805564
N-[2-amino-5-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-4-methylphenyl]-3,4-dimethoxybenzamide
CID 100805539
N-(2-amino-4-methyl-5-morpholin-4-ylphenyl)-2-methylpropanamide
CID 91683940
N-[2-amino-4-methyl-5-[(2R)-2-methylpiperidin-1-yl]phenyl]acetamide
CID 99968968
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-[(2S)-2-methylpiperidin-1-yl]phenyl]-3-bromobenzamide
CID 100805457

Frequently Asked Questions

What is the IUPAC name of N-[2-amino-5-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-4-methylphenyl]-2-methylpropanamide?
The IUPAC name of N-[2-amino-5-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-4-methylphenyl]-2-methylpropanamide (CID 99969022) is N-[2-amino-5-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-4-methylphenyl]-2-methylpropanamide.
What is the SMILES notation for N-[2-amino-5-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-4-methylphenyl]-2-methylpropanamide?
The canonical SMILES for N-[2-amino-5-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-4-methylphenyl]-2-methylpropanamide is Cc1cc(N)c(NC(=O)C(C)C)cc1N1[C@@H](C)CCC[C@@H]1C.
What is the InChIKey of N-[2-amino-5-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-4-methylphenyl]-2-methylpropanamide?
The InChIKey is JWHLRCGJUSDCAK-KBPBESRZSA-N. The full InChI is InChI=1S/C18H29N3O/c1-11(2)18(22)20-16-10-17(12(3)9-15(16)19)21-13(4)7-6-8-14(21)5/h9-11,13-14H,6-8,19H2,1-5H3,(H,20,22)/t13-,14-/m0/s1.
What are the key properties of N-[2-amino-5-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-4-methylphenyl]-2-methylpropanamide?
N-[2-amino-5-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-4-methylphenyl]-2-methylpropanamide has a molecular weight of 303.45 g/mol, XLogP of 3.94, 3 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]-2-methylpropanamide is sourced from PubChem (CID 99969022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).