1-[3-(2,3-dihydro-1H-inden-5-ylamino)-3-oxopropyl]piperidine-4-carboxamide

C18H25N3O2 — CID 739952

IUPAC1-[3-(2,3-dihydro-1H-inden-5-ylamino)-3-oxopropyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(CCC(=O)Nc2ccc3c(c2)CCC3)CC1
InChIInChI=1S/C18H25N3O2/c19-18(23)14-6-9-21(10-7-14)11-8-17(22)20-16-5-4-13-2-1-3-15(13)12-16/h4-5,12,14H,1-3,6-11H2,(H2,19,23)(H,20,22)
InChIKeyHFZHYZXUZHFTIT-UHFFFAOYSA-N
MW315.42 g/mol
LogP1.70
Rot. Bonds5

About 1-[3-(2,3-dihydro-1H-inden-5-ylamino)-3-oxopropyl]piperidine-4-carboxamide

1-[3-(2,3-dihydro-1H-inden-5-ylamino)-3-oxopropyl]piperidine-4-carboxamide (PubChem CID 739952) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is 1-[3-(2,3-dihydro-1H-inden-5-ylamino)-3-oxopropyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[3-(2,3-dihydro-1H-inden-5-ylamino)-3-oxopropyl]piperidine-4-carboxamide
PubChem CID739952
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC Name1-[3-(2,3-dihydro-1H-inden-5-ylamino)-3-oxopropyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(CCC(=O)Nc2ccc3c(c2)CCC3)CC1
InChIInChI=1S/C18H25N3O2/c19-18(23)14-6-9-21(10-7-14)11-8-17(22)20-16-5-4-13-2-1-3-15(13)12-16/h4-5,12,14H,1-3,6-11H2,(H2,19,23)(H,20,22)
InChIKeyHFZHYZXUZHFTIT-UHFFFAOYSA-N
XLogP1.70
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(2,3-dihydro-1H-inden-5-ylamino)-3-oxopropyl]piperidine-4-carboxamide?
The IUPAC name of 1-[3-(2,3-dihydro-1H-inden-5-ylamino)-3-oxopropyl]piperidine-4-carboxamide (CID 739952) is 1-[3-(2,3-dihydro-1H-inden-5-ylamino)-3-oxopropyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[3-(2,3-dihydro-1H-inden-5-ylamino)-3-oxopropyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[3-(2,3-dihydro-1H-inden-5-ylamino)-3-oxopropyl]piperidine-4-carboxamide is NC(=O)C1CCN(CCC(=O)Nc2ccc3c(c2)CCC3)CC1.
What is the InChIKey of 1-[3-(2,3-dihydro-1H-inden-5-ylamino)-3-oxopropyl]piperidine-4-carboxamide?
The InChIKey is HFZHYZXUZHFTIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2/c19-18(23)14-6-9-21(10-7-14)11-8-17(22)20-16-5-4-13-2-1-3-15(13)12-16/h4-5,12,14H,1-3,6-11H2,(H2,19,23)(H,20,22).
What are the key properties of 1-[3-(2,3-dihydro-1H-inden-5-ylamino)-3-oxopropyl]piperidine-4-carboxamide?
1-[3-(2,3-dihydro-1H-inden-5-ylamino)-3-oxopropyl]piperidine-4-carboxamide has a molecular weight of 315.42 g/mol, XLogP of 1.70, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2,3-dihydro-1H-inden-5-ylamino)-3-oxopropyl]piperidine-4-carboxamide is sourced from PubChem (CID 739952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).