2-amino-N-[1-(2-methoxyethyl)piperidin-4-yl]-3-phenylpropanamide

C17H27N3O2 — CID 119861342

IUPAC2-amino-N-[1-(2-methoxyethyl)piperidin-4-yl]-3-phenylpropanamide
SMILESCOCCN1CCC(NC(=O)C(N)Cc2ccccc2)CC1
InChIInChI=1S/C17H27N3O2/c1-22-12-11-20-9-7-15(8-10-20)19-17(21)16(18)13-14-5-3-2-4-6-14/h2-6,15-16H,7-13,18H2,1H3,(H,19,21)
InChIKeyXSDQYYYRKVOUKZ-UHFFFAOYSA-N
MW305.42 g/mol
LogP0.78
Rot. Bonds7

About 2-amino-N-[1-(2-methoxyethyl)piperidin-4-yl]-3-phenylpropanamide

2-amino-N-[1-(2-methoxyethyl)piperidin-4-yl]-3-phenylpropanamide (PubChem CID 119861342) has the molecular formula C17H27N3O2 and a molecular weight of 305.42 g/mol. Its IUPAC name is 2-amino-N-[1-(2-methoxyethyl)piperidin-4-yl]-3-phenylpropanamide.

Molecular Properties

Compound Name2-amino-N-[1-(2-methoxyethyl)piperidin-4-yl]-3-phenylpropanamide
PubChem CID119861342
Molecular FormulaC17H27N3O2
Molecular Weight305.42 g/mol
Exact Mass305.21
IUPAC Name2-amino-N-[1-(2-methoxyethyl)piperidin-4-yl]-3-phenylpropanamide
SMILESCOCCN1CCC(NC(=O)C(N)Cc2ccccc2)CC1
InChIInChI=1S/C17H27N3O2/c1-22-12-11-20-9-7-15(8-10-20)19-17(21)16(18)13-14-5-3-2-4-6-14/h2-6,15-16H,7-13,18H2,1H3,(H,19,21)
InChIKeyXSDQYYYRKVOUKZ-UHFFFAOYSA-N
XLogP0.78
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-(1-ethylpiperidin-4-yl)-3-phenylpropanamide
CID 61039141
(2S)-2-amino-N-(1-methylpiperidin-4-yl)-3-phenylpropanamide
CID 91079232
(2R)-2-amino-N-(1-methylpyrrolidin-3-yl)-3-phenylpropanamide
CID 78985707
(2S)-2-amino-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]-3-phenylpropanamide;dihydrochloride
CID 119853476
(2R)-2-amino-N-(1-cyclopropylpiperidin-4-yl)-3-phenylpropanamide
CID 78984552
2-amino-N-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]-3-phenylpropanamide
CID 119868626
2-amino-N-(1-methylsulfonylpiperidin-4-yl)-3-phenylpropanamide;hydrochloride
CID 119276757
2-amino-N-(1-benzylpyrrolidin-3-yl)-3-phenylpropanamide;dihydrochloride
CID 119831669
(2S)-2-amino-N-[1-(2-phenylethyl)piperidin-4-yl]butanamide;dihydrochloride
CID 119844586
(2S)-2-amino-N-(4-methylcyclohexyl)-3-phenylpropanamide
CID 14837100
(2S)-2-amino-N-(1-benzylpiperidin-4-yl)-3-(4-phenylmethoxyphenyl)propanamide
CID 54424840
(2S)-2-amino-N-[1-(3-methylbutanoyl)piperidin-4-yl]-3-phenylpropanamide
CID 119307382

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-(2-methoxyethyl)piperidin-4-yl]-3-phenylpropanamide?
The IUPAC name of 2-amino-N-[1-(2-methoxyethyl)piperidin-4-yl]-3-phenylpropanamide (CID 119861342) is 2-amino-N-[1-(2-methoxyethyl)piperidin-4-yl]-3-phenylpropanamide.
What is the SMILES notation for 2-amino-N-[1-(2-methoxyethyl)piperidin-4-yl]-3-phenylpropanamide?
The canonical SMILES for 2-amino-N-[1-(2-methoxyethyl)piperidin-4-yl]-3-phenylpropanamide is COCCN1CCC(NC(=O)C(N)Cc2ccccc2)CC1.
What is the InChIKey of 2-amino-N-[1-(2-methoxyethyl)piperidin-4-yl]-3-phenylpropanamide?
The InChIKey is XSDQYYYRKVOUKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2/c1-22-12-11-20-9-7-15(8-10-20)19-17(21)16(18)13-14-5-3-2-4-6-14/h2-6,15-16H,7-13,18H2,1H3,(H,19,21).
What are the key properties of 2-amino-N-[1-(2-methoxyethyl)piperidin-4-yl]-3-phenylpropanamide?
2-amino-N-[1-(2-methoxyethyl)piperidin-4-yl]-3-phenylpropanamide has a molecular weight of 305.42 g/mol, XLogP of 0.78, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[1-(2-methoxyethyl)piperidin-4-yl]-3-phenylpropanamide is sourced from PubChem (CID 119861342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).