N-[5-amino-2-[(2R)-2-methylpiperidin-1-yl]phenyl]hexanamide

C18H29N3O — CID 100803137

IUPACN-[5-amino-2-[(2R)-2-methylpiperidin-1-yl]phenyl]hexanamide
SMILESCCCCCC(=O)Nc1cc(N)ccc1N1CCCC[C@H]1C
InChIInChI=1S/C18H29N3O/c1-3-4-5-9-18(22)20-16-13-15(19)10-11-17(16)21-12-7-6-8-14(21)2/h10-11,13-14H,3-9,12,19H2,1-2H3,(H,20,22)/t14-/m1/s1
InChIKeyOYVWAYHVRRCPEO-CQSZACIVSA-N
MW303.45 g/mol
LogP4.17
Rot. Bonds6

About N-[5-amino-2-[(2R)-2-methylpiperidin-1-yl]phenyl]hexanamide

N-[5-amino-2-[(2R)-2-methylpiperidin-1-yl]phenyl]hexanamide (PubChem CID 100803137) has the molecular formula C18H29N3O and a molecular weight of 303.45 g/mol. Its IUPAC name is N-[5-amino-2-[(2R)-2-methylpiperidin-1-yl]phenyl]hexanamide.

Molecular Properties

Compound NameN-[5-amino-2-[(2R)-2-methylpiperidin-1-yl]phenyl]hexanamide
PubChem CID100803137
Molecular FormulaC18H29N3O
Molecular Weight303.45 g/mol
Exact Mass303.23
IUPAC NameN-[5-amino-2-[(2R)-2-methylpiperidin-1-yl]phenyl]hexanamide
SMILESCCCCCC(=O)Nc1cc(N)ccc1N1CCCC[C@H]1C
InChIInChI=1S/C18H29N3O/c1-3-4-5-9-18(22)20-16-13-15(19)10-11-17(16)21-12-7-6-8-14(21)2/h10-11,13-14H,3-9,12,19H2,1-2H3,(H,20,22)/t14-/m1/s1
InChIKeyOYVWAYHVRRCPEO-CQSZACIVSA-N
XLogP4.17
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(N-Propionylaniline)piperidine
CID 259381
Acetamide, N-[3-(diethylamino)phenyl]-
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1-[4-(4-Aminophenyl)piperazin-1-yl]ethan-1-one
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1-(3-Aminophenyl)piperidin-2-one
CID 13062324
3-(4-ethylpiperazin-1-yl)-N-phenylpropanamide
CID 3145287
Pentanoic acid {2-[4-(4-fluoro-phenyl)-piperazin-1-yl]-phenyl}-amide
CID 3214668
1-[4-(2-Aminophenyl)piperazin-1-yl]-2-methylpropan-1-one
CID 942074
N-(4-piperidinophenyl)butanamide
CID 878069
(S)-2-Amino-4-phenylamino-1-piperidin-1-yl-butan-1-one
CID 11436930
N-(2-amino-4-(4-methylpiperazin-1-yl)phenyl)-N-benzylacetamide
CID 11559141
N,N'-bis[4-(diethylamino)phenyl]hexanediamide
CID 2930948

Frequently Asked Questions

What is the IUPAC name of N-[5-amino-2-[(2R)-2-methylpiperidin-1-yl]phenyl]hexanamide?
The IUPAC name of N-[5-amino-2-[(2R)-2-methylpiperidin-1-yl]phenyl]hexanamide (CID 100803137) is N-[5-amino-2-[(2R)-2-methylpiperidin-1-yl]phenyl]hexanamide.
What is the SMILES notation for N-[5-amino-2-[(2R)-2-methylpiperidin-1-yl]phenyl]hexanamide?
The canonical SMILES for N-[5-amino-2-[(2R)-2-methylpiperidin-1-yl]phenyl]hexanamide is CCCCCC(=O)Nc1cc(N)ccc1N1CCCC[C@H]1C.
What is the InChIKey of N-[5-amino-2-[(2R)-2-methylpiperidin-1-yl]phenyl]hexanamide?
The InChIKey is OYVWAYHVRRCPEO-CQSZACIVSA-N. The full InChI is InChI=1S/C18H29N3O/c1-3-4-5-9-18(22)20-16-13-15(19)10-11-17(16)21-12-7-6-8-14(21)2/h10-11,13-14H,3-9,12,19H2,1-2H3,(H,20,22)/t14-/m1/s1.
What are the key properties of N-[5-amino-2-[(2R)-2-methylpiperidin-1-yl]phenyl]hexanamide?
N-[5-amino-2-[(2R)-2-methylpiperidin-1-yl]phenyl]hexanamide has a molecular weight of 303.45 g/mol, XLogP of 4.17, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-amino-2-[(2R)-2-methylpiperidin-1-yl]phenyl]hexanamide is sourced from PubChem (CID 100803137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).