N-(3-aminophenyl)-2-[2-(2-hydroxyethyl)piperidin-1-yl]butanamide

C17H27N3O2 — CID 82224672

IUPACN-(3-aminophenyl)-2-[2-(2-hydroxyethyl)piperidin-1-yl]butanamide
SMILESCCC(C(=O)Nc1cccc(N)c1)N1CCCCC1CCO
InChIInChI=1S/C17H27N3O2/c1-2-16(20-10-4-3-8-15(20)9-11-21)17(22)19-14-7-5-6-13(18)12-14/h5-7,12,15-16,21H,2-4,8-11,18H2,1H3,(H,19,22)
InChIKeyKYEMATFHZAOUDM-UHFFFAOYSA-N
MW305.42 g/mol
LogP2.22
Rot. Bonds6

About N-(3-aminophenyl)-2-[2-(2-hydroxyethyl)piperidin-1-yl]butanamide

N-(3-aminophenyl)-2-[2-(2-hydroxyethyl)piperidin-1-yl]butanamide (PubChem CID 82224672) has the molecular formula C17H27N3O2 and a molecular weight of 305.42 g/mol. Its IUPAC name is N-(3-aminophenyl)-2-[2-(2-hydroxyethyl)piperidin-1-yl]butanamide.

Molecular Properties

Compound NameN-(3-aminophenyl)-2-[2-(2-hydroxyethyl)piperidin-1-yl]butanamide
PubChem CID82224672
Molecular FormulaC17H27N3O2
Molecular Weight305.42 g/mol
Exact Mass305.21
IUPAC NameN-(3-aminophenyl)-2-[2-(2-hydroxyethyl)piperidin-1-yl]butanamide
SMILESCCC(C(=O)Nc1cccc(N)c1)N1CCCCC1CCO
InChIInChI=1S/C17H27N3O2/c1-2-16(20-10-4-3-8-15(20)9-11-21)17(22)19-14-7-5-6-13(18)12-14/h5-7,12,15-16,21H,2-4,8-11,18H2,1H3,(H,19,22)
InChIKeyKYEMATFHZAOUDM-UHFFFAOYSA-N
XLogP2.22
TPSA78.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 52.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-aminophenyl)-2-(2-methylpiperidin-1-yl)butanamide
CID 82224680
2-[2-(2-hydroxyethyl)piperidin-1-yl]butanehydrazide
CID 63570647
1-(4-aminophenyl)-2-[2-(2-hydroxyethyl)piperidin-1-yl]butan-1-one
CID 82256528
N-(3-aminophenyl)-2-(4-ethylpiperazin-1-yl)butanamide
CID 82224678
N-(3-aminophenyl)-2-(1,4-diazepan-1-yl)butanamide
CID 82224699
N-(3-aminophenyl)-2-(2-ethylpiperidin-1-yl)acetamide
CID 43266229
(2S)-N-(3-aminophenyl)-2-methylbutanamide
CID 40788840
N-(3-aminophenyl)-3-(2-propylpiperidin-1-yl)propanamide
CID 83052120
N-(3-aminophenyl)-2-piperidin-1-ylpropanamide
CID 16795783
N-(3-aminophenyl)-2-(2,3-dimethylpiperidin-1-yl)propanamide
CID 62122801
N-(3-aminophenyl)-2-[cycloheptyl(methyl)amino]propanamide
CID 43613799
2-[2-(2-hydroxyethyl)piperidin-1-yl]-N-(3-methylphenyl)-2-oxoacetamide
CID 108515753

Frequently Asked Questions

What is the IUPAC name of N-(3-aminophenyl)-2-[2-(2-hydroxyethyl)piperidin-1-yl]butanamide?
The IUPAC name of N-(3-aminophenyl)-2-[2-(2-hydroxyethyl)piperidin-1-yl]butanamide (CID 82224672) is N-(3-aminophenyl)-2-[2-(2-hydroxyethyl)piperidin-1-yl]butanamide.
What is the SMILES notation for N-(3-aminophenyl)-2-[2-(2-hydroxyethyl)piperidin-1-yl]butanamide?
The canonical SMILES for N-(3-aminophenyl)-2-[2-(2-hydroxyethyl)piperidin-1-yl]butanamide is CCC(C(=O)Nc1cccc(N)c1)N1CCCCC1CCO.
What is the InChIKey of N-(3-aminophenyl)-2-[2-(2-hydroxyethyl)piperidin-1-yl]butanamide?
The InChIKey is KYEMATFHZAOUDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2/c1-2-16(20-10-4-3-8-15(20)9-11-21)17(22)19-14-7-5-6-13(18)12-14/h5-7,12,15-16,21H,2-4,8-11,18H2,1H3,(H,19,22).
What are the key properties of N-(3-aminophenyl)-2-[2-(2-hydroxyethyl)piperidin-1-yl]butanamide?
N-(3-aminophenyl)-2-[2-(2-hydroxyethyl)piperidin-1-yl]butanamide has a molecular weight of 305.42 g/mol, XLogP of 2.22, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminophenyl)-2-[2-(2-hydroxyethyl)piperidin-1-yl]butanamide is sourced from PubChem (CID 82224672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).