N-[2-amino-4-methyl-5-[(3R)-3-methylpiperidin-1-yl]phenyl]-2-methylpropanamide

C17H27N3O — CID 99969006

IUPACN-[2-amino-4-methyl-5-[(3R)-3-methylpiperidin-1-yl]phenyl]-2-methylpropanamide
SMILESCc1cc(N)c(NC(=O)C(C)C)cc1N1CCC[C@@H](C)C1
InChIInChI=1S/C17H27N3O/c1-11(2)17(21)19-15-9-16(13(4)8-14(15)18)20-7-5-6-12(3)10-20/h8-9,11-12H,5-7,10,18H2,1-4H3,(H,19,21)/t12-/m1/s1
InChIKeyUMVVSMBPPBPDNF-GFCCVEGCSA-N
MW289.42 g/mol
LogP3.41
Rot. Bonds3

About N-[2-amino-4-methyl-5-[(3R)-3-methylpiperidin-1-yl]phenyl]-2-methylpropanamide

N-[2-amino-4-methyl-5-[(3R)-3-methylpiperidin-1-yl]phenyl]-2-methylpropanamide (PubChem CID 99969006) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is N-[2-amino-4-methyl-5-[(3R)-3-methylpiperidin-1-yl]phenyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[2-amino-4-methyl-5-[(3R)-3-methylpiperidin-1-yl]phenyl]-2-methylpropanamide
PubChem CID99969006
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC NameN-[2-amino-4-methyl-5-[(3R)-3-methylpiperidin-1-yl]phenyl]-2-methylpropanamide
SMILESCc1cc(N)c(NC(=O)C(C)C)cc1N1CCC[C@@H](C)C1
InChIInChI=1S/C17H27N3O/c1-11(2)17(21)19-15-9-16(13(4)8-14(15)18)20-7-5-6-12(3)10-20/h8-9,11-12H,5-7,10,18H2,1-4H3,(H,19,21)/t12-/m1/s1
InChIKeyUMVVSMBPPBPDNF-GFCCVEGCSA-N
XLogP3.41
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.41
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-4-methyl-5-(3-methylpiperidin-1-yl)phenyl]-4-tert-butylbenzamide
CID 91683980
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-morpholin-4-ylphenyl)-2-methylpropanamide
CID 91683940
2-methyl-N-[4-(3-methylpiperidin-1-yl)-3-(trifluoromethyl)phenyl]propanamide
CID 143229752
N-[2-amino-5-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-4-methylphenyl]-3-methylbenzamide
CID 99969105
2-methyl-N-[(1S)-1-[4-[(3S)-3-methylpiperidin-1-yl]phenyl]ethyl]propanamide
CID 98771920
N-[2-amino-5-(3,5-dimethylpiperidin-1-yl)-4-methylphenyl]-2-methylbenzamide
CID 91683959
N-[2-amino-5-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-4-methylphenyl]acetamide
CID 99968976
N-[2-amino-4-methyl-5-[(2R)-2-methylpiperidin-1-yl]phenyl]acetamide
CID 99968968
N-[2-amino-5-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-4-methylphenyl]propanamide
CID 99969020
(2S)-N-(5-chloro-2-methylphenyl)-2-[(3S)-3-methylpiperidin-1-yl]propanamide
CID 9275606

Frequently Asked Questions

What is the IUPAC name of N-[2-amino-4-methyl-5-[(3R)-3-methylpiperidin-1-yl]phenyl]-2-methylpropanamide?
The IUPAC name of N-[2-amino-4-methyl-5-[(3R)-3-methylpiperidin-1-yl]phenyl]-2-methylpropanamide (CID 99969006) is N-[2-amino-4-methyl-5-[(3R)-3-methylpiperidin-1-yl]phenyl]-2-methylpropanamide.
What is the SMILES notation for N-[2-amino-4-methyl-5-[(3R)-3-methylpiperidin-1-yl]phenyl]-2-methylpropanamide?
The canonical SMILES for N-[2-amino-4-methyl-5-[(3R)-3-methylpiperidin-1-yl]phenyl]-2-methylpropanamide is Cc1cc(N)c(NC(=O)C(C)C)cc1N1CCC[C@@H](C)C1.
What is the InChIKey of N-[2-amino-4-methyl-5-[(3R)-3-methylpiperidin-1-yl]phenyl]-2-methylpropanamide?
The InChIKey is UMVVSMBPPBPDNF-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H27N3O/c1-11(2)17(21)19-15-9-16(13(4)8-14(15)18)20-7-5-6-12(3)10-20/h8-9,11-12H,5-7,10,18H2,1-4H3,(H,19,21)/t12-/m1/s1.
What are the key properties of N-[2-amino-4-methyl-5-[(3R)-3-methylpiperidin-1-yl]phenyl]-2-methylpropanamide?
N-[2-amino-4-methyl-5-[(3R)-3-methylpiperidin-1-yl]phenyl]-2-methylpropanamide has a molecular weight of 289.42 g/mol, XLogP of 3.41, 3 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-[(3R)-3-methylpiperidin-1-yl]phenyl]-2-methylpropanamide is sourced from PubChem (CID 99969006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).