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

C17H27N3O — CID 99969020

IUPACN-[2-amino-5-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-4-methylphenyl]propanamide
SMILESCCC(=O)Nc1cc(N2[C@H](C)CCC[C@H]2C)c(C)cc1N
InChIInChI=1S/C17H27N3O/c1-5-17(21)19-15-10-16(11(2)9-14(15)18)20-12(3)7-6-8-13(20)4/h9-10,12-13H,5-8,18H2,1-4H3,(H,19,21)/t12-,13-/m1/s1
InChIKeyDNNMJZUXQMPDGO-CHWSQXEVSA-N
MW289.42 g/mol
LogP3.69
Rot. Bonds3

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

N-[2-amino-5-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-4-methylphenyl]propanamide (PubChem CID 99969020) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is N-[2-amino-5-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-4-methylphenyl]propanamide.

Molecular Properties

Compound NameN-[2-amino-5-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-4-methylphenyl]propanamide
PubChem CID99969020
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC NameN-[2-amino-5-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-4-methylphenyl]propanamide
SMILESCCC(=O)Nc1cc(N2[C@H](C)CCC[C@H]2C)c(C)cc1N
InChIInChI=1S/C17H27N3O/c1-5-17(21)19-15-10-16(11(2)9-14(15)18)20-12(3)7-6-8-13(20)4/h9-10,12-13H,5-8,18H2,1-4H3,(H,19,21)/t12-,13-/m1/s1
InChIKeyDNNMJZUXQMPDGO-CHWSQXEVSA-N
XLogP3.69
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 ≤ 53.69
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-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-5-(2,6-dimethylpiperidin-1-yl)-4-methylphenyl]-2-bromobenzamide
CID 91684052
N-(2-amino-4,5-dimethylphenyl)propanamide
CID 28691521
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
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-[5-amino-2-[(2R)-2-methylpiperidin-1-yl]phenyl]propanamide
CID 100803131
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

Frequently Asked Questions

What is the IUPAC name of N-[2-amino-5-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-4-methylphenyl]propanamide?
The IUPAC name of N-[2-amino-5-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-4-methylphenyl]propanamide (CID 99969020) is N-[2-amino-5-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-4-methylphenyl]propanamide.
What is the SMILES notation for N-[2-amino-5-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-4-methylphenyl]propanamide?
The canonical SMILES for N-[2-amino-5-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-4-methylphenyl]propanamide is CCC(=O)Nc1cc(N2[C@H](C)CCC[C@H]2C)c(C)cc1N.
What is the InChIKey of N-[2-amino-5-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-4-methylphenyl]propanamide?
The InChIKey is DNNMJZUXQMPDGO-CHWSQXEVSA-N. The full InChI is InChI=1S/C17H27N3O/c1-5-17(21)19-15-10-16(11(2)9-14(15)18)20-12(3)7-6-8-13(20)4/h9-10,12-13H,5-8,18H2,1-4H3,(H,19,21)/t12-,13-/m1/s1.
What are the key properties of N-[2-amino-5-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-4-methylphenyl]propanamide?
N-[2-amino-5-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-4-methylphenyl]propanamide has a molecular weight of 289.42 g/mol, XLogP of 3.69, 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-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-4-methylphenyl]propanamide is sourced from PubChem (CID 99969020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).