tert-butyl 4-[4-[[(6-methyl-3-pyridinyl)carbamoylamino]methyl]-2,3-dihydro-1H-inden-1-yl]piperazine-1-carboxylate

C26H35N5O3 — CID 23655013

IUPACtert-butyl 4-[4-[[(6-methyl-3-pyridinyl)carbamoylamino]methyl]-2,3-dihydro-1H-inden-1-yl]piperazine-1-carboxylate
SMILESCc1ccc(NC(=O)NCc2cccc3c2CCC3N2CCN(C(=O)OC(C)(C)C)CC2)cn1
InChIInChI=1S/C26H35N5O3/c1-18-8-9-20(17-27-18)29-24(32)28-16-19-6-5-7-22-21(19)10-11-23(22)30-12-14-31(15-13-30)25(33)34-26(2,3)4/h5-9,17,23H,10-16H2,1-4H3,(H2,28,29,32)
InChIKeyRYURQBCNLISZPW-UHFFFAOYSA-N
MW465.60 g/mol
LogP4.25
Rot. Bonds4

About tert-butyl 4-[4-[[(6-methyl-3-pyridinyl)carbamoylamino]methyl]-2,3-dihydro-1H-inden-1-yl]piperazine-1-carboxylate

tert-butyl 4-[4-[[(6-methyl-3-pyridinyl)carbamoylamino]methyl]-2,3-dihydro-1H-inden-1-yl]piperazine-1-carboxylate (PubChem CID 23655013) has the molecular formula C26H35N5O3 and a molecular weight of 465.60 g/mol. Its IUPAC name is tert-butyl 4-[4-[[(6-methyl-3-pyridinyl)carbamoylamino]methyl]-2,3-dihydro-1H-inden-1-yl]piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[4-[[(6-methyl-3-pyridinyl)carbamoylamino]methyl]-2,3-dihydro-1H-inden-1-yl]piperazine-1-carboxylate
PubChem CID23655013
Molecular FormulaC26H35N5O3
Molecular Weight465.60 g/mol
Exact Mass465.27
IUPAC Nametert-butyl 4-[4-[[(6-methyl-3-pyridinyl)carbamoylamino]methyl]-2,3-dihydro-1H-inden-1-yl]piperazine-1-carboxylate
SMILESCc1ccc(NC(=O)NCc2cccc3c2CCC3N2CCN(C(=O)OC(C)(C)C)CC2)cn1
InChIInChI=1S/C26H35N5O3/c1-18-8-9-20(17-27-18)29-24(32)28-16-19-6-5-7-22-21(19)10-11-23(22)30-12-14-31(15-13-30)25(33)34-26(2,3)4/h5-9,17,23H,10-16H2,1-4H3,(H2,28,29,32)
InChIKeyRYURQBCNLISZPW-UHFFFAOYSA-N
XLogP4.25
TPSA86.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.60
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze tert-butyl 4-[4-[[(6-methyl-3-pyridinyl)carbamoylamino]methyl]-2,3-dihydro-1H-inden-1-yl]piperazine-1-carboxylate 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

tert-butyl 4-[[8-[[(6-methyl-3-pyridinyl)carbamoylamino]methyl]imidazo[1,2-a]pyridin-2-yl]methyl]piperazine-1-carboxylate
CID 23653888
tert-butyl 4-[[2,4-difluoro-3-[(6-methyl-3-pyridinyl)carbamoylamino]phenyl]methyl]piperazine-1-carboxylate
CID 58919238
tert-butyl 4-[[3-[(1S)-1-[(6-methyl-3-pyridinyl)carbamoylamino]ethyl]phenyl]methyl]piperazine-1-carboxylate
CID 68764838
methyl 4-[[4-chloro-3-[[(6-methyl-3-pyridinyl)carbamoylamino]methyl]phenyl]methyl]piperazine-1-carboxylate
CID 68764992
tert-butyl 4-[(7S)-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl]piperazine-1-carboxylate
CID 67986525
tert-butyl 4-[4-[(3-ethoxyphenyl)carbamoylamino]phenyl]piperidine-1-carboxylate
CID 69452252
methyl 4-[[2,4-difluoro-3-[[(6-methyl-3-pyridinyl)carbamoylamino]methyl]phenyl]methyl]piperazine-1-carboxylate
CID 68764802
tert-butyl (3S)-3-(2-chlorophenyl)-4-[2-(6-methyl-3-pyridinyl)acetyl]piperazine-1-carboxylate
CID 100733768
tert-butyl 4-[5-[(2-methoxyphenyl)carbamoylamino]-2-pyridinyl]piperazine-1-carboxylate
CID 69454140
tert-butyl 2-[4-[6-[(6-methyl-3-pyridinyl)carbamoylamino]pyrazin-2-yl]phenyl]pyrrolidine-1-carboxylate
CID 146346866
tert-butyl 4-[[4-(methylcarbamoylamino)phenyl]methyl]piperidine-1-carboxylate
CID 139989028
tert-butyl 4-[(6-pyrrolidin-1-yl-3-pyridinyl)carbamoyl]piperazine-1-carboxylate
CID 47040321

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[4-[[(6-methyl-3-pyridinyl)carbamoylamino]methyl]-2,3-dihydro-1H-inden-1-yl]piperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-[4-[[(6-methyl-3-pyridinyl)carbamoylamino]methyl]-2,3-dihydro-1H-inden-1-yl]piperazine-1-carboxylate (CID 23655013) is tert-butyl 4-[4-[[(6-methyl-3-pyridinyl)carbamoylamino]methyl]-2,3-dihydro-1H-inden-1-yl]piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[4-[[(6-methyl-3-pyridinyl)carbamoylamino]methyl]-2,3-dihydro-1H-inden-1-yl]piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[4-[[(6-methyl-3-pyridinyl)carbamoylamino]methyl]-2,3-dihydro-1H-inden-1-yl]piperazine-1-carboxylate is Cc1ccc(NC(=O)NCc2cccc3c2CCC3N2CCN(C(=O)OC(C)(C)C)CC2)cn1.
What is the InChIKey of tert-butyl 4-[4-[[(6-methyl-3-pyridinyl)carbamoylamino]methyl]-2,3-dihydro-1H-inden-1-yl]piperazine-1-carboxylate?
The InChIKey is RYURQBCNLISZPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N5O3/c1-18-8-9-20(17-27-18)29-24(32)28-16-19-6-5-7-22-21(19)10-11-23(22)30-12-14-31(15-13-30)25(33)34-26(2,3)4/h5-9,17,23H,10-16H2,1-4H3,(H2,28,29,32).
What are the key properties of tert-butyl 4-[4-[[(6-methyl-3-pyridinyl)carbamoylamino]methyl]-2,3-dihydro-1H-inden-1-yl]piperazine-1-carboxylate?
tert-butyl 4-[4-[[(6-methyl-3-pyridinyl)carbamoylamino]methyl]-2,3-dihydro-1H-inden-1-yl]piperazine-1-carboxylate has a molecular weight of 465.60 g/mol, XLogP of 4.25, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[4-[[(6-methyl-3-pyridinyl)carbamoylamino]methyl]-2,3-dihydro-1H-inden-1-yl]piperazine-1-carboxylate is sourced from PubChem (CID 23655013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).