2-piperidin-4-ylethyl (2R)-2-amino-3-(1-methylindol-3-yl)propanoate;hydrochloride

C19H28ClN3O2 — CID 164625945

IUPAC2-piperidin-4-ylethyl (2R)-2-amino-3-(1-methylindol-3-yl)propanoate;hydrochloride
SMILESCl.Cn1cc(C[C@@H](N)C(=O)OCCC2CCNCC2)c2ccccc21
InChIInChI=1S/C19H27N3O2.ClH/c1-22-13-15(16-4-2-3-5-18(16)22)12-17(20)19(23)24-11-8-14-6-9-21-10-7-14;/h2-5,13-14,17,21H,6-12,20H2,1H3;1H/t17-;/m1./s1
InChIKeyIVPJEHXSNNKICR-UNTBIKODSA-N
MW365.91 g/mol
LogP2.40
Rot. Bonds6

About 2-piperidin-4-ylethyl (2R)-2-amino-3-(1-methylindol-3-yl)propanoate;hydrochloride

2-piperidin-4-ylethyl (2R)-2-amino-3-(1-methylindol-3-yl)propanoate;hydrochloride (PubChem CID 164625945) has the molecular formula C19H28ClN3O2 and a molecular weight of 365.91 g/mol. Its IUPAC name is 2-piperidin-4-ylethyl (2R)-2-amino-3-(1-methylindol-3-yl)propanoate;hydrochloride.

Molecular Properties

Compound Name2-piperidin-4-ylethyl (2R)-2-amino-3-(1-methylindol-3-yl)propanoate;hydrochloride
PubChem CID164625945
Molecular FormulaC19H28ClN3O2
Molecular Weight365.91 g/mol
Exact Mass365.19
IUPAC Name2-piperidin-4-ylethyl (2R)-2-amino-3-(1-methylindol-3-yl)propanoate;hydrochloride
SMILESCl.Cn1cc(C[C@@H](N)C(=O)OCCC2CCNCC2)c2ccccc21
InChIInChI=1S/C19H27N3O2.ClH/c1-22-13-15(16-4-2-3-5-18(16)22)12-17(20)19(23)24-11-8-14-6-9-21-10-7-14;/h2-5,13-14,17,21H,6-12,20H2,1H3;1H/t17-;/m1./s1
InChIKeyIVPJEHXSNNKICR-UNTBIKODSA-N
XLogP2.40
TPSA69.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.91
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-piperidin-4-ylethyl (2R)-2-amino-3-(1-methylindol-3-yl)propanoate;hydrochloride?
The IUPAC name of 2-piperidin-4-ylethyl (2R)-2-amino-3-(1-methylindol-3-yl)propanoate;hydrochloride (CID 164625945) is 2-piperidin-4-ylethyl (2R)-2-amino-3-(1-methylindol-3-yl)propanoate;hydrochloride.
What is the SMILES notation for 2-piperidin-4-ylethyl (2R)-2-amino-3-(1-methylindol-3-yl)propanoate;hydrochloride?
The canonical SMILES for 2-piperidin-4-ylethyl (2R)-2-amino-3-(1-methylindol-3-yl)propanoate;hydrochloride is Cl.Cn1cc(C[C@@H](N)C(=O)OCCC2CCNCC2)c2ccccc21.
What is the InChIKey of 2-piperidin-4-ylethyl (2R)-2-amino-3-(1-methylindol-3-yl)propanoate;hydrochloride?
The InChIKey is IVPJEHXSNNKICR-UNTBIKODSA-N. The full InChI is InChI=1S/C19H27N3O2.ClH/c1-22-13-15(16-4-2-3-5-18(16)22)12-17(20)19(23)24-11-8-14-6-9-21-10-7-14;/h2-5,13-14,17,21H,6-12,20H2,1H3;1H/t17-;/m1./s1.
What are the key properties of 2-piperidin-4-ylethyl (2R)-2-amino-3-(1-methylindol-3-yl)propanoate;hydrochloride?
2-piperidin-4-ylethyl (2R)-2-amino-3-(1-methylindol-3-yl)propanoate;hydrochloride has a molecular weight of 365.91 g/mol, XLogP of 2.40, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-4-ylethyl (2R)-2-amino-3-(1-methylindol-3-yl)propanoate;hydrochloride is sourced from PubChem (CID 164625945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).