N-[(3S)-2-oxoazepan-3-yl]-2-piperidin-1-yl-1,3-dihydroindene-2-carboxamide

C21H29N3O2 — CID 26314875

IUPACN-[(3S)-2-oxoazepan-3-yl]-2-piperidin-1-yl-1,3-dihydroindene-2-carboxamide
SMILESO=C1NCCCC[C@@H]1NC(=O)C1(N2CCCCC2)Cc2ccccc2C1
InChIInChI=1S/C21H29N3O2/c25-19-18(10-4-5-11-22-19)23-20(26)21(24-12-6-1-7-13-24)14-16-8-2-3-9-17(16)15-21/h2-3,8-9,18H,1,4-7,10-15H2,(H,22,25)(H,23,26)/t18-/m0/s1
InChIKeyUYXXKPKTGGRNOA-SFHVURJKSA-N
MW355.48 g/mol
LogP1.79
Rot. Bonds3

About N-[(3S)-2-oxoazepan-3-yl]-2-piperidin-1-yl-1,3-dihydroindene-2-carboxamide

N-[(3S)-2-oxoazepan-3-yl]-2-piperidin-1-yl-1,3-dihydroindene-2-carboxamide (PubChem CID 26314875) has the molecular formula C21H29N3O2 and a molecular weight of 355.48 g/mol. Its IUPAC name is N-[(3S)-2-oxoazepan-3-yl]-2-piperidin-1-yl-1,3-dihydroindene-2-carboxamide.

Molecular Properties

Compound NameN-[(3S)-2-oxoazepan-3-yl]-2-piperidin-1-yl-1,3-dihydroindene-2-carboxamide
PubChem CID26314875
Molecular FormulaC21H29N3O2
Molecular Weight355.48 g/mol
Exact Mass355.23
IUPAC NameN-[(3S)-2-oxoazepan-3-yl]-2-piperidin-1-yl-1,3-dihydroindene-2-carboxamide
SMILESO=C1NCCCC[C@@H]1NC(=O)C1(N2CCCCC2)Cc2ccccc2C1
InChIInChI=1S/C21H29N3O2/c25-19-18(10-4-5-11-22-19)23-20(26)21(24-12-6-1-7-13-24)14-16-8-2-3-9-17(16)15-21/h2-3,8-9,18H,1,4-7,10-15H2,(H,22,25)(H,23,26)/t18-/m0/s1
InChIKeyUYXXKPKTGGRNOA-SFHVURJKSA-N
XLogP1.79
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.48
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3S)-2-oxoazepan-3-yl]-2-piperidin-1-yl-1,3-dihydroindene-2-carboxamide?
The IUPAC name of N-[(3S)-2-oxoazepan-3-yl]-2-piperidin-1-yl-1,3-dihydroindene-2-carboxamide (CID 26314875) is N-[(3S)-2-oxoazepan-3-yl]-2-piperidin-1-yl-1,3-dihydroindene-2-carboxamide.
What is the SMILES notation for N-[(3S)-2-oxoazepan-3-yl]-2-piperidin-1-yl-1,3-dihydroindene-2-carboxamide?
The canonical SMILES for N-[(3S)-2-oxoazepan-3-yl]-2-piperidin-1-yl-1,3-dihydroindene-2-carboxamide is O=C1NCCCC[C@@H]1NC(=O)C1(N2CCCCC2)Cc2ccccc2C1.
What is the InChIKey of N-[(3S)-2-oxoazepan-3-yl]-2-piperidin-1-yl-1,3-dihydroindene-2-carboxamide?
The InChIKey is UYXXKPKTGGRNOA-SFHVURJKSA-N. The full InChI is InChI=1S/C21H29N3O2/c25-19-18(10-4-5-11-22-19)23-20(26)21(24-12-6-1-7-13-24)14-16-8-2-3-9-17(16)15-21/h2-3,8-9,18H,1,4-7,10-15H2,(H,22,25)(H,23,26)/t18-/m0/s1.
What are the key properties of N-[(3S)-2-oxoazepan-3-yl]-2-piperidin-1-yl-1,3-dihydroindene-2-carboxamide?
N-[(3S)-2-oxoazepan-3-yl]-2-piperidin-1-yl-1,3-dihydroindene-2-carboxamide has a molecular weight of 355.48 g/mol, XLogP of 1.79, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-2-oxoazepan-3-yl]-2-piperidin-1-yl-1,3-dihydroindene-2-carboxamide is sourced from PubChem (CID 26314875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).