formic acid;(1-methylindol-2-yl)-[4-(1-methylpiperidin-2-yl)piperidin-1-yl]methanone

C22H31N3O3 — CID 155873054

IUPACformic acid;(1-methylindol-2-yl)-[4-(1-methylpiperidin-2-yl)piperidin-1-yl]methanone
SMILESCN1CCCCC1C1CCN(C(=O)c2cc3ccccc3n2C)CC1.O=CO
InChIInChI=1S/C21H29N3O.CH2O2/c1-22-12-6-5-8-18(22)16-10-13-24(14-11-16)21(25)20-15-17-7-3-4-9-19(17)23(20)2;2-1-3/h3-4,7,9,15-16,18H,5-6,8,10-14H2,1-2H3;1H,(H,2,3)
InChIKeyIPRARAQHXGKIEI-UHFFFAOYSA-N
MW385.51 g/mol
LogP3.22
Rot. Bonds2

About formic acid;(1-methylindol-2-yl)-[4-(1-methylpiperidin-2-yl)piperidin-1-yl]methanone

formic acid;(1-methylindol-2-yl)-[4-(1-methylpiperidin-2-yl)piperidin-1-yl]methanone (PubChem CID 155873054) has the molecular formula C22H31N3O3 and a molecular weight of 385.51 g/mol. Its IUPAC name is formic acid;(1-methylindol-2-yl)-[4-(1-methylpiperidin-2-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Nameformic acid;(1-methylindol-2-yl)-[4-(1-methylpiperidin-2-yl)piperidin-1-yl]methanone
PubChem CID155873054
Molecular FormulaC22H31N3O3
Molecular Weight385.51 g/mol
Exact Mass385.24
IUPAC Nameformic acid;(1-methylindol-2-yl)-[4-(1-methylpiperidin-2-yl)piperidin-1-yl]methanone
SMILESCN1CCCCC1C1CCN(C(=O)c2cc3ccccc3n2C)CC1.O=CO
InChIInChI=1S/C21H29N3O.CH2O2/c1-22-12-6-5-8-18(22)16-10-13-24(14-11-16)21(25)20-15-17-7-3-4-9-19(17)23(20)2;2-1-3/h3-4,7,9,15-16,18H,5-6,8,10-14H2,1-2H3;1H,(H,2,3)
InChIKeyIPRARAQHXGKIEI-UHFFFAOYSA-N
XLogP3.22
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.51
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of formic acid;(1-methylindol-2-yl)-[4-(1-methylpiperidin-2-yl)piperidin-1-yl]methanone?
The IUPAC name of formic acid;(1-methylindol-2-yl)-[4-(1-methylpiperidin-2-yl)piperidin-1-yl]methanone (CID 155873054) is formic acid;(1-methylindol-2-yl)-[4-(1-methylpiperidin-2-yl)piperidin-1-yl]methanone.
What is the SMILES notation for formic acid;(1-methylindol-2-yl)-[4-(1-methylpiperidin-2-yl)piperidin-1-yl]methanone?
The canonical SMILES for formic acid;(1-methylindol-2-yl)-[4-(1-methylpiperidin-2-yl)piperidin-1-yl]methanone is CN1CCCCC1C1CCN(C(=O)c2cc3ccccc3n2C)CC1.O=CO.
What is the InChIKey of formic acid;(1-methylindol-2-yl)-[4-(1-methylpiperidin-2-yl)piperidin-1-yl]methanone?
The InChIKey is IPRARAQHXGKIEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O.CH2O2/c1-22-12-6-5-8-18(22)16-10-13-24(14-11-16)21(25)20-15-17-7-3-4-9-19(17)23(20)2;2-1-3/h3-4,7,9,15-16,18H,5-6,8,10-14H2,1-2H3;1H,(H,2,3).
What are the key properties of formic acid;(1-methylindol-2-yl)-[4-(1-methylpiperidin-2-yl)piperidin-1-yl]methanone?
formic acid;(1-methylindol-2-yl)-[4-(1-methylpiperidin-2-yl)piperidin-1-yl]methanone has a molecular weight of 385.51 g/mol, XLogP of 3.22, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for formic acid;(1-methylindol-2-yl)-[4-(1-methylpiperidin-2-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 155873054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).