5-[cyclopropyl-(1-methylpiperidin-4-yl)amino]-2,3-dihydro-1H-indole-2-carboxylic acid

C18H25N3O2 — CID 174547945

IUPAC5-[cyclopropyl-(1-methylpiperidin-4-yl)amino]-2,3-dihydro-1H-indole-2-carboxylic acid
SMILESCN1CCC(N(c2ccc3c(c2)CC(C(=O)O)N3)C2CC2)CC1
InChIInChI=1S/C18H25N3O2/c1-20-8-6-14(7-9-20)21(13-2-3-13)15-4-5-16-12(10-15)11-17(19-16)18(22)23/h4-5,10,13-14,17,19H,2-3,6-9,11H2,1H3,(H,22,23)
InChIKeyFVBFPAWKEYNBPC-UHFFFAOYSA-N
MW315.42 g/mol
LogP2.17
Rot. Bonds4

About 5-[cyclopropyl-(1-methylpiperidin-4-yl)amino]-2,3-dihydro-1H-indole-2-carboxylic acid

5-[cyclopropyl-(1-methylpiperidin-4-yl)amino]-2,3-dihydro-1H-indole-2-carboxylic acid (PubChem CID 174547945) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is 5-[cyclopropyl-(1-methylpiperidin-4-yl)amino]-2,3-dihydro-1H-indole-2-carboxylic acid.

Molecular Properties

Compound Name5-[cyclopropyl-(1-methylpiperidin-4-yl)amino]-2,3-dihydro-1H-indole-2-carboxylic acid
PubChem CID174547945
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC Name5-[cyclopropyl-(1-methylpiperidin-4-yl)amino]-2,3-dihydro-1H-indole-2-carboxylic acid
SMILESCN1CCC(N(c2ccc3c(c2)CC(C(=O)O)N3)C2CC2)CC1
InChIInChI=1S/C18H25N3O2/c1-20-8-6-14(7-9-20)21(13-2-3-13)15-4-5-16-12(10-15)11-17(19-16)18(22)23/h4-5,10,13-14,17,19H,2-3,6-9,11H2,1H3,(H,22,23)
InChIKeyFVBFPAWKEYNBPC-UHFFFAOYSA-N
XLogP2.17
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[cyclopropyl-(1-methylpiperidin-4-yl)amino]-2,3-dihydro-1H-indole-2-carboxylic acid?
The IUPAC name of 5-[cyclopropyl-(1-methylpiperidin-4-yl)amino]-2,3-dihydro-1H-indole-2-carboxylic acid (CID 174547945) is 5-[cyclopropyl-(1-methylpiperidin-4-yl)amino]-2,3-dihydro-1H-indole-2-carboxylic acid.
What is the SMILES notation for 5-[cyclopropyl-(1-methylpiperidin-4-yl)amino]-2,3-dihydro-1H-indole-2-carboxylic acid?
The canonical SMILES for 5-[cyclopropyl-(1-methylpiperidin-4-yl)amino]-2,3-dihydro-1H-indole-2-carboxylic acid is CN1CCC(N(c2ccc3c(c2)CC(C(=O)O)N3)C2CC2)CC1.
What is the InChIKey of 5-[cyclopropyl-(1-methylpiperidin-4-yl)amino]-2,3-dihydro-1H-indole-2-carboxylic acid?
The InChIKey is FVBFPAWKEYNBPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2/c1-20-8-6-14(7-9-20)21(13-2-3-13)15-4-5-16-12(10-15)11-17(19-16)18(22)23/h4-5,10,13-14,17,19H,2-3,6-9,11H2,1H3,(H,22,23).
What are the key properties of 5-[cyclopropyl-(1-methylpiperidin-4-yl)amino]-2,3-dihydro-1H-indole-2-carboxylic acid?
5-[cyclopropyl-(1-methylpiperidin-4-yl)amino]-2,3-dihydro-1H-indole-2-carboxylic acid has a molecular weight of 315.42 g/mol, XLogP of 2.17, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[cyclopropyl-(1-methylpiperidin-4-yl)amino]-2,3-dihydro-1H-indole-2-carboxylic acid is sourced from PubChem (CID 174547945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).