propan-2-yl 3-[[4-(5-methoxy-1H-indol-3-yl)piperidine-1-carbonyl]amino]propanoate

C21H29N3O4 — CID 86837322

IUPACpropan-2-yl 3-[[4-(5-methoxy-1H-indol-3-yl)piperidine-1-carbonyl]amino]propanoate
SMILESCOc1ccc2[nH]cc(C3CCN(C(=O)NCCC(=O)OC(C)C)CC3)c2c1
InChIInChI=1S/C21H29N3O4/c1-14(2)28-20(25)6-9-22-21(26)24-10-7-15(8-11-24)18-13-23-19-5-4-16(27-3)12-17(18)19/h4-5,12-15,23H,6-11H2,1-3H3,(H,22,26)
InChIKeyVXVKJCQUBSIKPP-UHFFFAOYSA-N
MW387.48 g/mol
LogP3.41
Rot. Bonds6

About propan-2-yl 3-[[4-(5-methoxy-1H-indol-3-yl)piperidine-1-carbonyl]amino]propanoate

propan-2-yl 3-[[4-(5-methoxy-1H-indol-3-yl)piperidine-1-carbonyl]amino]propanoate (PubChem CID 86837322) has the molecular formula C21H29N3O4 and a molecular weight of 387.48 g/mol. Its IUPAC name is propan-2-yl 3-[[4-(5-methoxy-1H-indol-3-yl)piperidine-1-carbonyl]amino]propanoate.

Molecular Properties

Compound Namepropan-2-yl 3-[[4-(5-methoxy-1H-indol-3-yl)piperidine-1-carbonyl]amino]propanoate
PubChem CID86837322
Molecular FormulaC21H29N3O4
Molecular Weight387.48 g/mol
Exact Mass387.22
IUPAC Namepropan-2-yl 3-[[4-(5-methoxy-1H-indol-3-yl)piperidine-1-carbonyl]amino]propanoate
SMILESCOc1ccc2[nH]cc(C3CCN(C(=O)NCCC(=O)OC(C)C)CC3)c2c1
InChIInChI=1S/C21H29N3O4/c1-14(2)28-20(25)6-9-22-21(26)24-10-7-15(8-11-24)18-13-23-19-5-4-16(27-3)12-17(18)19/h4-5,12-15,23H,6-11H2,1-3H3,(H,22,26)
InChIKeyVXVKJCQUBSIKPP-UHFFFAOYSA-N
XLogP3.41
TPSA83.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.48
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl 3-[[4-(5-methoxy-1H-indol-3-yl)piperidine-1-carbonyl]amino]propanoate?
The IUPAC name of propan-2-yl 3-[[4-(5-methoxy-1H-indol-3-yl)piperidine-1-carbonyl]amino]propanoate (CID 86837322) is propan-2-yl 3-[[4-(5-methoxy-1H-indol-3-yl)piperidine-1-carbonyl]amino]propanoate.
What is the SMILES notation for propan-2-yl 3-[[4-(5-methoxy-1H-indol-3-yl)piperidine-1-carbonyl]amino]propanoate?
The canonical SMILES for propan-2-yl 3-[[4-(5-methoxy-1H-indol-3-yl)piperidine-1-carbonyl]amino]propanoate is COc1ccc2[nH]cc(C3CCN(C(=O)NCCC(=O)OC(C)C)CC3)c2c1.
What is the InChIKey of propan-2-yl 3-[[4-(5-methoxy-1H-indol-3-yl)piperidine-1-carbonyl]amino]propanoate?
The InChIKey is VXVKJCQUBSIKPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O4/c1-14(2)28-20(25)6-9-22-21(26)24-10-7-15(8-11-24)18-13-23-19-5-4-16(27-3)12-17(18)19/h4-5,12-15,23H,6-11H2,1-3H3,(H,22,26).
What are the key properties of propan-2-yl 3-[[4-(5-methoxy-1H-indol-3-yl)piperidine-1-carbonyl]amino]propanoate?
propan-2-yl 3-[[4-(5-methoxy-1H-indol-3-yl)piperidine-1-carbonyl]amino]propanoate has a molecular weight of 387.48 g/mol, XLogP of 3.41, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 3-[[4-(5-methoxy-1H-indol-3-yl)piperidine-1-carbonyl]amino]propanoate is sourced from PubChem (CID 86837322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).