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

C18H26ClN3O2 — CID 164625948

IUPACpiperidin-4-ylmethyl (2R)-2-amino-3-(1-methylindol-3-yl)propanoate;hydrochloride
SMILESCl.Cn1cc(C[C@@H](N)C(=O)OCC2CCNCC2)c2ccccc21
InChIInChI=1S/C18H25N3O2.ClH/c1-21-11-14(15-4-2-3-5-17(15)21)10-16(19)18(22)23-12-13-6-8-20-9-7-13;/h2-5,11,13,16,20H,6-10,12,19H2,1H3;1H/t16-;/m1./s1
InChIKeyRBDFYPNXBLZDLJ-PKLMIRHRSA-N
MW351.88 g/mol
LogP2.01
Rot. Bonds5

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

piperidin-4-ylmethyl (2R)-2-amino-3-(1-methylindol-3-yl)propanoate;hydrochloride (PubChem CID 164625948) has the molecular formula C18H26ClN3O2 and a molecular weight of 351.88 g/mol. Its IUPAC name is piperidin-4-ylmethyl (2R)-2-amino-3-(1-methylindol-3-yl)propanoate;hydrochloride.

Molecular Properties

Compound Namepiperidin-4-ylmethyl (2R)-2-amino-3-(1-methylindol-3-yl)propanoate;hydrochloride
PubChem CID164625948
Molecular FormulaC18H26ClN3O2
Molecular Weight351.88 g/mol
Exact Mass351.17
IUPAC Namepiperidin-4-ylmethyl (2R)-2-amino-3-(1-methylindol-3-yl)propanoate;hydrochloride
SMILESCl.Cn1cc(C[C@@H](N)C(=O)OCC2CCNCC2)c2ccccc21
InChIInChI=1S/C18H25N3O2.ClH/c1-21-11-14(15-4-2-3-5-17(15)21)10-16(19)18(22)23-12-13-6-8-20-9-7-13;/h2-5,11,13,16,20H,6-10,12,19H2,1H3;1H/t16-;/m1./s1
InChIKeyRBDFYPNXBLZDLJ-PKLMIRHRSA-N
XLogP2.01
TPSA69.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.88
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of piperidin-4-ylmethyl (2R)-2-amino-3-(1-methylindol-3-yl)propanoate;hydrochloride?
The IUPAC name of piperidin-4-ylmethyl (2R)-2-amino-3-(1-methylindol-3-yl)propanoate;hydrochloride (CID 164625948) is piperidin-4-ylmethyl (2R)-2-amino-3-(1-methylindol-3-yl)propanoate;hydrochloride.
What is the SMILES notation for piperidin-4-ylmethyl (2R)-2-amino-3-(1-methylindol-3-yl)propanoate;hydrochloride?
The canonical SMILES for piperidin-4-ylmethyl (2R)-2-amino-3-(1-methylindol-3-yl)propanoate;hydrochloride is Cl.Cn1cc(C[C@@H](N)C(=O)OCC2CCNCC2)c2ccccc21.
What is the InChIKey of piperidin-4-ylmethyl (2R)-2-amino-3-(1-methylindol-3-yl)propanoate;hydrochloride?
The InChIKey is RBDFYPNXBLZDLJ-PKLMIRHRSA-N. The full InChI is InChI=1S/C18H25N3O2.ClH/c1-21-11-14(15-4-2-3-5-17(15)21)10-16(19)18(22)23-12-13-6-8-20-9-7-13;/h2-5,11,13,16,20H,6-10,12,19H2,1H3;1H/t16-;/m1./s1.
What are the key properties of piperidin-4-ylmethyl (2R)-2-amino-3-(1-methylindol-3-yl)propanoate;hydrochloride?
piperidin-4-ylmethyl (2R)-2-amino-3-(1-methylindol-3-yl)propanoate;hydrochloride has a molecular weight of 351.88 g/mol, XLogP of 2.01, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for piperidin-4-ylmethyl (2R)-2-amino-3-(1-methylindol-3-yl)propanoate;hydrochloride is sourced from PubChem (CID 164625948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).