3-[3-amino-4-(4-methylpiperidin-1-yl)phenyl]-N-ethyl-N-(2-hydroxyethyl)propanamide

C19H31N3O2 — CID 39131226

IUPAC3-[3-amino-4-(4-methylpiperidin-1-yl)phenyl]-N-ethyl-N-(2-hydroxyethyl)propanamide
SMILESCCN(CCO)C(=O)CCc1ccc(N2CCC(C)CC2)c(N)c1
InChIInChI=1S/C19H31N3O2/c1-3-21(12-13-23)19(24)7-5-16-4-6-18(17(20)14-16)22-10-8-15(2)9-11-22/h4,6,14-15,23H,3,5,7-13,20H2,1-2H3
InChIKeyBWHUYABRNQGMIQ-UHFFFAOYSA-N
MW333.48 g/mol
LogP2.28
Rot. Bonds7

About 3-[3-amino-4-(4-methylpiperidin-1-yl)phenyl]-N-ethyl-N-(2-hydroxyethyl)propanamide

3-[3-amino-4-(4-methylpiperidin-1-yl)phenyl]-N-ethyl-N-(2-hydroxyethyl)propanamide (PubChem CID 39131226) has the molecular formula C19H31N3O2 and a molecular weight of 333.48 g/mol. Its IUPAC name is 3-[3-amino-4-(4-methylpiperidin-1-yl)phenyl]-N-ethyl-N-(2-hydroxyethyl)propanamide.

Molecular Properties

Compound Name3-[3-amino-4-(4-methylpiperidin-1-yl)phenyl]-N-ethyl-N-(2-hydroxyethyl)propanamide
PubChem CID39131226
Molecular FormulaC19H31N3O2
Molecular Weight333.48 g/mol
Exact Mass333.24
IUPAC Name3-[3-amino-4-(4-methylpiperidin-1-yl)phenyl]-N-ethyl-N-(2-hydroxyethyl)propanamide
SMILESCCN(CCO)C(=O)CCc1ccc(N2CCC(C)CC2)c(N)c1
InChIInChI=1S/C19H31N3O2/c1-3-21(12-13-23)19(24)7-5-16-4-6-18(17(20)14-16)22-10-8-15(2)9-11-22/h4,6,14-15,23H,3,5,7-13,20H2,1-2H3
InChIKeyBWHUYABRNQGMIQ-UHFFFAOYSA-N
XLogP2.28
TPSA69.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.48
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(3-amino-4-morpholin-4-ylphenyl)-N,N-dipropylpropanamide
CID 82027779
3-(3-amino-4-pyrrolidin-1-ylphenyl)-N,N-bis(2-methylpropyl)propanamide
CID 39131071
3-(3-amino-4-morpholin-4-ylphenyl)-N-tert-butyl-N-ethylpropanamide
CID 82027775
3-[3-amino-4-(4-methylpiperidin-1-yl)phenyl]-N-(furan-2-ylmethyl)propanamide
CID 39112783
5-[3-(3,5-dimethylpiperidin-1-yl)propyl]-2-(4-methylpiperidin-1-yl)aniline
CID 82027795
N-ethyl-N-(2-hydroxyethyl)-2-(4-methylpiperidin-1-yl)-5-nitrobenzamide
CID 110878608
2-[3-methyl-4-(4-methylpiperidin-1-yl)phenyl]ethanol
CID 82290403
1-ethyl-1-(2-hydroxyethyl)-3-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]urea
CID 110896030
3-[3-amino-4-(4-methylpiperazin-1-yl)phenyl]-N-cyclopropylpropanamide
CID 39112878
4-(3,4-dichlorophenyl)-N-ethyl-N-(2-hydroxyethyl)butanamide
CID 78897631
3-(3-amino-4-piperidin-1-ylphenyl)-1-pyrrolidin-1-ylpropan-1-one
CID 82070972
3-[4-(cyclopropanecarbonyl)-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]-N,N-diethylpropanamide
CID 91921100

Frequently Asked Questions

What is the IUPAC name of 3-[3-amino-4-(4-methylpiperidin-1-yl)phenyl]-N-ethyl-N-(2-hydroxyethyl)propanamide?
The IUPAC name of 3-[3-amino-4-(4-methylpiperidin-1-yl)phenyl]-N-ethyl-N-(2-hydroxyethyl)propanamide (CID 39131226) is 3-[3-amino-4-(4-methylpiperidin-1-yl)phenyl]-N-ethyl-N-(2-hydroxyethyl)propanamide.
What is the SMILES notation for 3-[3-amino-4-(4-methylpiperidin-1-yl)phenyl]-N-ethyl-N-(2-hydroxyethyl)propanamide?
The canonical SMILES for 3-[3-amino-4-(4-methylpiperidin-1-yl)phenyl]-N-ethyl-N-(2-hydroxyethyl)propanamide is CCN(CCO)C(=O)CCc1ccc(N2CCC(C)CC2)c(N)c1.
What is the InChIKey of 3-[3-amino-4-(4-methylpiperidin-1-yl)phenyl]-N-ethyl-N-(2-hydroxyethyl)propanamide?
The InChIKey is BWHUYABRNQGMIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O2/c1-3-21(12-13-23)19(24)7-5-16-4-6-18(17(20)14-16)22-10-8-15(2)9-11-22/h4,6,14-15,23H,3,5,7-13,20H2,1-2H3.
What are the key properties of 3-[3-amino-4-(4-methylpiperidin-1-yl)phenyl]-N-ethyl-N-(2-hydroxyethyl)propanamide?
3-[3-amino-4-(4-methylpiperidin-1-yl)phenyl]-N-ethyl-N-(2-hydroxyethyl)propanamide has a molecular weight of 333.48 g/mol, XLogP of 2.28, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-amino-4-(4-methylpiperidin-1-yl)phenyl]-N-ethyl-N-(2-hydroxyethyl)propanamide is sourced from PubChem (CID 39131226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).