N-(2,3-dihydro-1H-inden-1-ylmethyl)-3-(oxan-2-yl)piperidine-1-carboxamide

C21H30N2O2 — CID 132971629

IUPACN-(2,3-dihydro-1H-inden-1-ylmethyl)-3-(oxan-2-yl)piperidine-1-carboxamide
SMILESO=C(NCC1CCc2ccccc21)N1CCCC(C2CCCCO2)C1
InChIInChI=1S/C21H30N2O2/c24-21(22-14-17-11-10-16-6-1-2-8-19(16)17)23-12-5-7-18(15-23)20-9-3-4-13-25-20/h1-2,6,8,17-18,20H,3-5,7,9-15H2,(H,22,24)
InChIKeyMZQKTLBZFCPHJS-UHFFFAOYSA-N
MW342.48 g/mol
LogP3.71
Rot. Bonds3

About N-(2,3-dihydro-1H-inden-1-ylmethyl)-3-(oxan-2-yl)piperidine-1-carboxamide

N-(2,3-dihydro-1H-inden-1-ylmethyl)-3-(oxan-2-yl)piperidine-1-carboxamide (PubChem CID 132971629) has the molecular formula C21H30N2O2 and a molecular weight of 342.48 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-1-ylmethyl)-3-(oxan-2-yl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-inden-1-ylmethyl)-3-(oxan-2-yl)piperidine-1-carboxamide
PubChem CID132971629
Molecular FormulaC21H30N2O2
Molecular Weight342.48 g/mol
Exact Mass342.23
IUPAC NameN-(2,3-dihydro-1H-inden-1-ylmethyl)-3-(oxan-2-yl)piperidine-1-carboxamide
SMILESO=C(NCC1CCc2ccccc21)N1CCCC(C2CCCCO2)C1
InChIInChI=1S/C21H30N2O2/c24-21(22-14-17-11-10-16-6-1-2-8-19(16)17)23-12-5-7-18(15-23)20-9-3-4-13-25-20/h1-2,6,8,17-18,20H,3-5,7,9-15H2,(H,22,24)
InChIKeyMZQKTLBZFCPHJS-UHFFFAOYSA-N
XLogP3.71
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.48
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-methoxy-N-phenethyl-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide
CID 91907692
N-[2-(2,3-dihydro-1H-inden-2-yl)ethyl]-3-hydroxypiperidine-1-carboxamide
CID 118740678
4-(Cyclopropylmethoxy)-N~9~-phenethyl-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide
CID 91918008
1-[2-(2,3-dihydro-1H-inden-2-yl)ethyl]-3-[1-(4-methylmorpholin-2-yl)ethyl]urea
CID 71967474
1-(1,1a,6,6a-Tetrahydrocyclopropa[a]inden-1-yl)-3-[2-(oxan-2-yl)ethyl]urea
CID 75500372
N-[2-(2,3-dihydro-1H-inden-2-yl)ethyl]-3-(2-hydroxypropyl)morpholine-4-carboxamide
CID 75509306
1-[2-[(2S)-4-(2,3-dihydro-1H-inden-2-yl)morpholin-2-yl]ethyl]-3-ethylurea
CID 95208028
3-(3,4-difluorophenyl)-N-(2-ethyloxan-4-yl)piperidine-1-carboxamide
CID 132319932
N-[2-(2,5-difluorophenyl)ethyl]-3-(oxan-2-yl)piperidine-1-carboxamide
CID 132324662
N-[2-amino-2-(2-ethylphenyl)ethyl]-3-(oxan-2-yl)piperidine-1-carboxamide
CID 132972044
4-cyclopentyloxy-N-(3,3,3-trifluoro-2-phenylpropyl)piperidine-1-carboxamide
CID 132297705
N-(2-benzyl-3,3,3-trifluoropropyl)-3-(oxan-2-yl)piperidine-1-carboxamide
CID 132324840

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-inden-1-ylmethyl)-3-(oxan-2-yl)piperidine-1-carboxamide?
The IUPAC name of N-(2,3-dihydro-1H-inden-1-ylmethyl)-3-(oxan-2-yl)piperidine-1-carboxamide (CID 132971629) is N-(2,3-dihydro-1H-inden-1-ylmethyl)-3-(oxan-2-yl)piperidine-1-carboxamide.
What is the SMILES notation for N-(2,3-dihydro-1H-inden-1-ylmethyl)-3-(oxan-2-yl)piperidine-1-carboxamide?
The canonical SMILES for N-(2,3-dihydro-1H-inden-1-ylmethyl)-3-(oxan-2-yl)piperidine-1-carboxamide is O=C(NCC1CCc2ccccc21)N1CCCC(C2CCCCO2)C1.
What is the InChIKey of N-(2,3-dihydro-1H-inden-1-ylmethyl)-3-(oxan-2-yl)piperidine-1-carboxamide?
The InChIKey is MZQKTLBZFCPHJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2O2/c24-21(22-14-17-11-10-16-6-1-2-8-19(16)17)23-12-5-7-18(15-23)20-9-3-4-13-25-20/h1-2,6,8,17-18,20H,3-5,7,9-15H2,(H,22,24).
What are the key properties of N-(2,3-dihydro-1H-inden-1-ylmethyl)-3-(oxan-2-yl)piperidine-1-carboxamide?
N-(2,3-dihydro-1H-inden-1-ylmethyl)-3-(oxan-2-yl)piperidine-1-carboxamide has a molecular weight of 342.48 g/mol, XLogP of 3.71, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-inden-1-ylmethyl)-3-(oxan-2-yl)piperidine-1-carboxamide is sourced from PubChem (CID 132971629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).