N-ethyl-4-(6-methoxy-2,3-dihydro-1H-inden-1-yl)piperazine-1-carboxamide

C17H25N3O2 — CID 22375392

IUPACN-ethyl-4-(6-methoxy-2,3-dihydro-1H-inden-1-yl)piperazine-1-carboxamide
SMILESCCNC(=O)N1CCN(C2CCc3ccc(OC)cc32)CC1
InChIInChI=1S/C17H25N3O2/c1-3-18-17(21)20-10-8-19(9-11-20)16-7-5-13-4-6-14(22-2)12-15(13)16/h4,6,12,16H,3,5,7-11H2,1-2H3,(H,18,21)
InChIKeySIGOPOHNYSSSMV-UHFFFAOYSA-N
MW303.41 g/mol
LogP2.03
Rot. Bonds3

About N-ethyl-4-(6-methoxy-2,3-dihydro-1H-inden-1-yl)piperazine-1-carboxamide

N-ethyl-4-(6-methoxy-2,3-dihydro-1H-inden-1-yl)piperazine-1-carboxamide (PubChem CID 22375392) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is N-ethyl-4-(6-methoxy-2,3-dihydro-1H-inden-1-yl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-ethyl-4-(6-methoxy-2,3-dihydro-1H-inden-1-yl)piperazine-1-carboxamide
PubChem CID22375392
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC NameN-ethyl-4-(6-methoxy-2,3-dihydro-1H-inden-1-yl)piperazine-1-carboxamide
SMILESCCNC(=O)N1CCN(C2CCc3ccc(OC)cc32)CC1
InChIInChI=1S/C17H25N3O2/c1-3-18-17(21)20-10-8-19(9-11-20)16-7-5-13-4-6-14(22-2)12-15(13)16/h4,6,12,16H,3,5,7-11H2,1-2H3,(H,18,21)
InChIKeySIGOPOHNYSSSMV-UHFFFAOYSA-N
XLogP2.03
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-(6-methoxy-2,3-dihydro-1H-inden-1-yl)piperazine-1-carboxamide?
The IUPAC name of N-ethyl-4-(6-methoxy-2,3-dihydro-1H-inden-1-yl)piperazine-1-carboxamide (CID 22375392) is N-ethyl-4-(6-methoxy-2,3-dihydro-1H-inden-1-yl)piperazine-1-carboxamide.
What is the SMILES notation for N-ethyl-4-(6-methoxy-2,3-dihydro-1H-inden-1-yl)piperazine-1-carboxamide?
The canonical SMILES for N-ethyl-4-(6-methoxy-2,3-dihydro-1H-inden-1-yl)piperazine-1-carboxamide is CCNC(=O)N1CCN(C2CCc3ccc(OC)cc32)CC1.
What is the InChIKey of N-ethyl-4-(6-methoxy-2,3-dihydro-1H-inden-1-yl)piperazine-1-carboxamide?
The InChIKey is SIGOPOHNYSSSMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2/c1-3-18-17(21)20-10-8-19(9-11-20)16-7-5-13-4-6-14(22-2)12-15(13)16/h4,6,12,16H,3,5,7-11H2,1-2H3,(H,18,21).
What are the key properties of N-ethyl-4-(6-methoxy-2,3-dihydro-1H-inden-1-yl)piperazine-1-carboxamide?
N-ethyl-4-(6-methoxy-2,3-dihydro-1H-inden-1-yl)piperazine-1-carboxamide has a molecular weight of 303.41 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-(6-methoxy-2,3-dihydro-1H-inden-1-yl)piperazine-1-carboxamide is sourced from PubChem (CID 22375392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).