1-[1-(2,3-dihydro-1H-indol-5-yl)propan-2-yl]piperidine-4-carboxamide

C17H25N3O — CID 82257077

IUPAC1-[1-(2,3-dihydro-1H-indol-5-yl)propan-2-yl]piperidine-4-carboxamide
SMILESCC(Cc1ccc2c(c1)CCN2)N1CCC(C(N)=O)CC1
InChIInChI=1S/C17H25N3O/c1-12(20-8-5-14(6-9-20)17(18)21)10-13-2-3-16-15(11-13)4-7-19-16/h2-3,11-12,14,19H,4-10H2,1H3,(H2,18,21)
InChIKeyVTHCQRYMYPNZLS-UHFFFAOYSA-N
MW287.41 g/mol
LogP1.78
Rot. Bonds4

About 1-[1-(2,3-dihydro-1H-indol-5-yl)propan-2-yl]piperidine-4-carboxamide

1-[1-(2,3-dihydro-1H-indol-5-yl)propan-2-yl]piperidine-4-carboxamide (PubChem CID 82257077) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is 1-[1-(2,3-dihydro-1H-indol-5-yl)propan-2-yl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[1-(2,3-dihydro-1H-indol-5-yl)propan-2-yl]piperidine-4-carboxamide
PubChem CID82257077
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name1-[1-(2,3-dihydro-1H-indol-5-yl)propan-2-yl]piperidine-4-carboxamide
SMILESCC(Cc1ccc2c(c1)CCN2)N1CCC(C(N)=O)CC1
InChIInChI=1S/C17H25N3O/c1-12(20-8-5-14(6-9-20)17(18)21)10-13-2-3-16-15(11-13)4-7-19-16/h2-3,11-12,14,19H,4-10H2,1H3,(H2,18,21)
InChIKeyVTHCQRYMYPNZLS-UHFFFAOYSA-N
XLogP1.78
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,3-dihydro-1H-indol-5-yl)propan-2-yl]piperidine-4-carboxamide?
The IUPAC name of 1-[1-(2,3-dihydro-1H-indol-5-yl)propan-2-yl]piperidine-4-carboxamide (CID 82257077) is 1-[1-(2,3-dihydro-1H-indol-5-yl)propan-2-yl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[1-(2,3-dihydro-1H-indol-5-yl)propan-2-yl]piperidine-4-carboxamide?
The canonical SMILES for 1-[1-(2,3-dihydro-1H-indol-5-yl)propan-2-yl]piperidine-4-carboxamide is CC(Cc1ccc2c(c1)CCN2)N1CCC(C(N)=O)CC1.
What is the InChIKey of 1-[1-(2,3-dihydro-1H-indol-5-yl)propan-2-yl]piperidine-4-carboxamide?
The InChIKey is VTHCQRYMYPNZLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-12(20-8-5-14(6-9-20)17(18)21)10-13-2-3-16-15(11-13)4-7-19-16/h2-3,11-12,14,19H,4-10H2,1H3,(H2,18,21).
What are the key properties of 1-[1-(2,3-dihydro-1H-indol-5-yl)propan-2-yl]piperidine-4-carboxamide?
1-[1-(2,3-dihydro-1H-indol-5-yl)propan-2-yl]piperidine-4-carboxamide has a molecular weight of 287.41 g/mol, XLogP of 1.78, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,3-dihydro-1H-indol-5-yl)propan-2-yl]piperidine-4-carboxamide is sourced from PubChem (CID 82257077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).