(6-piperazin-1-yl-2,3-dihydro-1H-inden-1-yl) carbamate

C14H19N3O2 — CID 175044380

IUPAC(6-piperazin-1-yl-2,3-dihydro-1H-inden-1-yl) carbamate
SMILESNC(=O)OC1CCc2ccc(N3CCNCC3)cc21
InChIInChI=1S/C14H19N3O2/c15-14(18)19-13-4-2-10-1-3-11(9-12(10)13)17-7-5-16-6-8-17/h1,3,9,13,16H,2,4-8H2,(H2,15,18)
InChIKeySVMIIDVKYXJSTH-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.18
Rot. Bonds2

About (6-piperazin-1-yl-2,3-dihydro-1H-inden-1-yl) carbamate

(6-piperazin-1-yl-2,3-dihydro-1H-inden-1-yl) carbamate (PubChem CID 175044380) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is (6-piperazin-1-yl-2,3-dihydro-1H-inden-1-yl) carbamate.

Molecular Properties

Compound Name(6-piperazin-1-yl-2,3-dihydro-1H-inden-1-yl) carbamate
PubChem CID175044380
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name(6-piperazin-1-yl-2,3-dihydro-1H-inden-1-yl) carbamate
SMILESNC(=O)OC1CCc2ccc(N3CCNCC3)cc21
InChIInChI=1S/C14H19N3O2/c15-14(18)19-13-4-2-10-1-3-11(9-12(10)13)17-7-5-16-6-8-17/h1,3,9,13,16H,2,4-8H2,(H2,15,18)
InChIKeySVMIIDVKYXJSTH-UHFFFAOYSA-N
XLogP1.18
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (6-piperazin-1-yl-2,3-dihydro-1H-inden-1-yl) carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3,5-dichlorophenyl)methyl N-methyl-N-(6-piperazin-1-yl-2,3-dihydro-1H-inden-1-yl)carbamate
CID 142601830
1-(7-piperazin-1-yl-3,4-dihydro-1H-isoquinolin-2-yl)ethanone
CID 28707370
[6-(2,5-dichlorophenyl)-2,3-dihydro-1H-inden-1-yl] carbamate
CID 175296823
[6-[4-(trifluoromethoxy)phenyl]-2,3-dihydro-1H-inden-1-yl] carbamate
CID 175296578
1-(2-amino-5-piperazin-1-ylphenyl)ethanone
CID 104612700
[7-(4-chlorophenyl)-1,2,3,4-tetrahydronaphthalen-1-yl] carbamate
CID 175568823
ethane;5-piperazin-1-yl-1-benzofuran-2-carboxamide
CID 144805378
2-methoxy-4-piperazin-1-ylbenzoic acid
CID 84699390
1-(3,4-dimethylphenyl)piperazine;hydrochloride
CID 56766536
1-(3,4-dimethoxyphenyl)piperazine;dihydrochloride
CID 22625407
2-(4-piperazin-1-ylphenyl)propanamide
CID 178004680
benzyl (1S,5R)-1,5-dimethyl-8-piperazin-1-yl-1,3,4,5-tetrahydro-2-benzazepine-2-carboxylate
CID 138464741

Frequently Asked Questions

What is the IUPAC name of (6-piperazin-1-yl-2,3-dihydro-1H-inden-1-yl) carbamate?
The IUPAC name of (6-piperazin-1-yl-2,3-dihydro-1H-inden-1-yl) carbamate (CID 175044380) is (6-piperazin-1-yl-2,3-dihydro-1H-inden-1-yl) carbamate.
What is the SMILES notation for (6-piperazin-1-yl-2,3-dihydro-1H-inden-1-yl) carbamate?
The canonical SMILES for (6-piperazin-1-yl-2,3-dihydro-1H-inden-1-yl) carbamate is NC(=O)OC1CCc2ccc(N3CCNCC3)cc21.
What is the InChIKey of (6-piperazin-1-yl-2,3-dihydro-1H-inden-1-yl) carbamate?
The InChIKey is SVMIIDVKYXJSTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c15-14(18)19-13-4-2-10-1-3-11(9-12(10)13)17-7-5-16-6-8-17/h1,3,9,13,16H,2,4-8H2,(H2,15,18).
What are the key properties of (6-piperazin-1-yl-2,3-dihydro-1H-inden-1-yl) carbamate?
(6-piperazin-1-yl-2,3-dihydro-1H-inden-1-yl) carbamate has a molecular weight of 261.32 g/mol, XLogP of 1.18, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-piperazin-1-yl-2,3-dihydro-1H-inden-1-yl) carbamate is sourced from PubChem (CID 175044380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).