(2S)-2-amino-N-(1-methylpiperidin-4-yl)-3-phenylpropanamide

C15H23N3O — CID 91079232

IUPAC(2S)-2-amino-N-(1-methylpiperidin-4-yl)-3-phenylpropanamide
SMILESCN1CCC(NC(=O)[C@@H](N)Cc2ccccc2)CC1
InChIInChI=1S/C15H23N3O/c1-18-9-7-13(8-10-18)17-15(19)14(16)11-12-5-3-2-4-6-12/h2-6,13-14H,7-11,16H2,1H3,(H,17,19)/t14-/m0/s1
InChIKeyJVWLLOYKMKHXTD-AWEZNQCLSA-N
MW261.37 g/mol
LogP0.77
Rot. Bonds4

About (2S)-2-amino-N-(1-methylpiperidin-4-yl)-3-phenylpropanamide

(2S)-2-amino-N-(1-methylpiperidin-4-yl)-3-phenylpropanamide (PubChem CID 91079232) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is (2S)-2-amino-N-(1-methylpiperidin-4-yl)-3-phenylpropanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(1-methylpiperidin-4-yl)-3-phenylpropanamide
PubChem CID91079232
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name(2S)-2-amino-N-(1-methylpiperidin-4-yl)-3-phenylpropanamide
SMILESCN1CCC(NC(=O)[C@@H](N)Cc2ccccc2)CC1
InChIInChI=1S/C15H23N3O/c1-18-9-7-13(8-10-18)17-15(19)14(16)11-12-5-3-2-4-6-12/h2-6,13-14H,7-11,16H2,1H3,(H,17,19)/t14-/m0/s1
InChIKeyJVWLLOYKMKHXTD-AWEZNQCLSA-N
XLogP0.77
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]-3-phenylpropanamide
CID 119868626
(2R)-2-amino-N-(1-methylpyrrolidin-3-yl)-3-phenylpropanamide
CID 78985707
(2S)-2-amino-N-(1-methylpiperidin-4-yl)-4-phenylbutanamide
CID 104983890
2-amino-3-(4-hydroxyphenyl)-N-(1-methylpiperidin-4-yl)propanamide
CID 76893768
2-amino-N-(1-ethylpiperidin-4-yl)-3-phenylpropanamide
CID 61039141
(2R)-2-amino-N-(1-cyclopropylpiperidin-4-yl)-3-phenylpropanamide
CID 78984552
2-amino-N-(1-methylsulfonylpiperidin-4-yl)-3-phenylpropanamide;hydrochloride
CID 119276757
2-amino-N-[1-(2-methoxyethyl)piperidin-4-yl]-3-phenylpropanamide
CID 119861342
(2S)-2-amino-N-(4-methylcyclohexyl)-3-phenylpropanamide
CID 14837100
(2S)-2-amino-N-[1-(3-methylbutanoyl)piperidin-4-yl]-3-phenylpropanamide
CID 119307382
(2S)-2-amino-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]-3-phenylpropanamide;dihydrochloride
CID 119853476
2-amino-3-(1-benzylimidazol-4-yl)-N-(1-methylpiperidin-4-yl)propanamide
CID 69137777

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(1-methylpiperidin-4-yl)-3-phenylpropanamide?
The IUPAC name of (2S)-2-amino-N-(1-methylpiperidin-4-yl)-3-phenylpropanamide (CID 91079232) is (2S)-2-amino-N-(1-methylpiperidin-4-yl)-3-phenylpropanamide.
What is the SMILES notation for (2S)-2-amino-N-(1-methylpiperidin-4-yl)-3-phenylpropanamide?
The canonical SMILES for (2S)-2-amino-N-(1-methylpiperidin-4-yl)-3-phenylpropanamide is CN1CCC(NC(=O)[C@@H](N)Cc2ccccc2)CC1.
What is the InChIKey of (2S)-2-amino-N-(1-methylpiperidin-4-yl)-3-phenylpropanamide?
The InChIKey is JVWLLOYKMKHXTD-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H23N3O/c1-18-9-7-13(8-10-18)17-15(19)14(16)11-12-5-3-2-4-6-12/h2-6,13-14H,7-11,16H2,1H3,(H,17,19)/t14-/m0/s1.
What are the key properties of (2S)-2-amino-N-(1-methylpiperidin-4-yl)-3-phenylpropanamide?
(2S)-2-amino-N-(1-methylpiperidin-4-yl)-3-phenylpropanamide has a molecular weight of 261.37 g/mol, XLogP of 0.77, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(1-methylpiperidin-4-yl)-3-phenylpropanamide is sourced from PubChem (CID 91079232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).