(2S)-2-amino-3-(4-methoxyphenyl)-N-[2-(piperidin-1-ylmethyl)phenyl]propanamide

C22H29N3O2 — CID 131948170

IUPAC(2S)-2-amino-3-(4-methoxyphenyl)-N-[2-(piperidin-1-ylmethyl)phenyl]propanamide
SMILESCOc1ccc(C[C@H](N)C(=O)Nc2ccccc2CN2CCCCC2)cc1
InChIInChI=1S/C22H29N3O2/c1-27-19-11-9-17(10-12-19)15-20(23)22(26)24-21-8-4-3-7-18(21)16-25-13-5-2-6-14-25/h3-4,7-12,20H,2,5-6,13-16,23H2,1H3,(H,24,26)/t20-/m0/s1
InChIKeyGRTRFDFKWLSKFJ-FQEVSTJZSA-N
MW367.49 g/mol
LogP3.19
Rot. Bonds7

About (2S)-2-amino-3-(4-methoxyphenyl)-N-[2-(piperidin-1-ylmethyl)phenyl]propanamide

(2S)-2-amino-3-(4-methoxyphenyl)-N-[2-(piperidin-1-ylmethyl)phenyl]propanamide (PubChem CID 131948170) has the molecular formula C22H29N3O2 and a molecular weight of 367.49 g/mol. Its IUPAC name is (2S)-2-amino-3-(4-methoxyphenyl)-N-[2-(piperidin-1-ylmethyl)phenyl]propanamide.

Molecular Properties

Compound Name(2S)-2-amino-3-(4-methoxyphenyl)-N-[2-(piperidin-1-ylmethyl)phenyl]propanamide
PubChem CID131948170
Molecular FormulaC22H29N3O2
Molecular Weight367.49 g/mol
Exact Mass367.23
IUPAC Name(2S)-2-amino-3-(4-methoxyphenyl)-N-[2-(piperidin-1-ylmethyl)phenyl]propanamide
SMILESCOc1ccc(C[C@H](N)C(=O)Nc2ccccc2CN2CCCCC2)cc1
InChIInChI=1S/C22H29N3O2/c1-27-19-11-9-17(10-12-19)15-20(23)22(26)24-21-8-4-3-7-18(21)16-25-13-5-2-6-14-25/h3-4,7-12,20H,2,5-6,13-16,23H2,1H3,(H,24,26)/t20-/m0/s1
InChIKeyGRTRFDFKWLSKFJ-FQEVSTJZSA-N
XLogP3.19
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-(4-methoxyphenyl)-N-[2-(piperidin-1-ylmethyl)phenyl]propanamide?
The IUPAC name of (2S)-2-amino-3-(4-methoxyphenyl)-N-[2-(piperidin-1-ylmethyl)phenyl]propanamide (CID 131948170) is (2S)-2-amino-3-(4-methoxyphenyl)-N-[2-(piperidin-1-ylmethyl)phenyl]propanamide.
What is the SMILES notation for (2S)-2-amino-3-(4-methoxyphenyl)-N-[2-(piperidin-1-ylmethyl)phenyl]propanamide?
The canonical SMILES for (2S)-2-amino-3-(4-methoxyphenyl)-N-[2-(piperidin-1-ylmethyl)phenyl]propanamide is COc1ccc(C[C@H](N)C(=O)Nc2ccccc2CN2CCCCC2)cc1.
What is the InChIKey of (2S)-2-amino-3-(4-methoxyphenyl)-N-[2-(piperidin-1-ylmethyl)phenyl]propanamide?
The InChIKey is GRTRFDFKWLSKFJ-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H29N3O2/c1-27-19-11-9-17(10-12-19)15-20(23)22(26)24-21-8-4-3-7-18(21)16-25-13-5-2-6-14-25/h3-4,7-12,20H,2,5-6,13-16,23H2,1H3,(H,24,26)/t20-/m0/s1.
What are the key properties of (2S)-2-amino-3-(4-methoxyphenyl)-N-[2-(piperidin-1-ylmethyl)phenyl]propanamide?
(2S)-2-amino-3-(4-methoxyphenyl)-N-[2-(piperidin-1-ylmethyl)phenyl]propanamide has a molecular weight of 367.49 g/mol, XLogP of 3.19, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-(4-methoxyphenyl)-N-[2-(piperidin-1-ylmethyl)phenyl]propanamide is sourced from PubChem (CID 131948170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).