tert-butyl 4-carbamoyl-4-(6-chloropyrazin-2-yl)piperidine-1-carboxylate

C15H21ClN4O3 — CID 167995710

IUPACtert-butyl 4-carbamoyl-4-(6-chloropyrazin-2-yl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(C(N)=O)(c2cncc(Cl)n2)CC1
InChIInChI=1S/C15H21ClN4O3/c1-14(2,3)23-13(22)20-6-4-15(5-7-20,12(17)21)10-8-18-9-11(16)19-10/h8-9H,4-7H2,1-3H3,(H2,17,21)
InChIKeyDRYTYGLUBZQDLO-UHFFFAOYSA-N
MW340.81 g/mol
LogP1.88
Rot. Bonds2

About tert-butyl 4-carbamoyl-4-(6-chloropyrazin-2-yl)piperidine-1-carboxylate

tert-butyl 4-carbamoyl-4-(6-chloropyrazin-2-yl)piperidine-1-carboxylate (PubChem CID 167995710) has the molecular formula C15H21ClN4O3 and a molecular weight of 340.81 g/mol. Its IUPAC name is tert-butyl 4-carbamoyl-4-(6-chloropyrazin-2-yl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-carbamoyl-4-(6-chloropyrazin-2-yl)piperidine-1-carboxylate
PubChem CID167995710
Molecular FormulaC15H21ClN4O3
Molecular Weight340.81 g/mol
Exact Mass340.13
IUPAC Nametert-butyl 4-carbamoyl-4-(6-chloropyrazin-2-yl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(C(N)=O)(c2cncc(Cl)n2)CC1
InChIInChI=1S/C15H21ClN4O3/c1-14(2,3)23-13(22)20-6-4-15(5-7-20,12(17)21)10-8-18-9-11(16)19-10/h8-9H,4-7H2,1-3H3,(H2,17,21)
InChIKeyDRYTYGLUBZQDLO-UHFFFAOYSA-N
XLogP1.88
TPSA98.41 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.81
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze tert-butyl 4-carbamoyl-4-(6-chloropyrazin-2-yl)piperidine-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-(6-chloropyrazin-2-yl)piperazine-1-carboxylate;2,6-dichloropyrazine
CID 87578550
tert-butyl 4-(2,6-dichloro-4-pyridinyl)-4-methylpiperidine-1-carboxylate
CID 122503159
tert-butyl 4-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]-4-(fluoromethyl)piperidine-1-carboxylate
CID 178042373
tert-butyl 4-acetyl-4-pyridin-2-ylpiperidine-1-carboxylate
CID 67465657
1-[(2-methylpropan-2-yl)oxycarbonyl]-4-pyridin-3-ylpiperidine-4-carboxylic acid
CID 54382242
1-O-tert-butyl 4-O-ethyl 4-(2-chloro-4-pyridinyl)piperidine-1,4-dicarboxylate
CID 90024521
1-O-tert-butyl 4-O-ethyl 4-pyridin-4-ylpiperidine-1,4-dicarboxylate
CID 58993693
tert-butyl 4,4-bis(2-iodo-1-methylimidazol-4-yl)piperidine-1-carboxylate
CID 175216255
tert-butyl 2-(5-amino-3-pyridinyl)-1-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate
CID 171627167
tert-butyl 4-[(1S)-1-(6-chloropyrazin-2-yl)-2-ethoxycarbonyloxy-2-oxoethyl]piperidine-1-carboxylate
CID 10048189
tert-butyl 4-cyano-4-methylpiperidine-1-carboxylate
CID 46835621
tert-butyl 4-amino-4-[(6-chloro-3-pyridinyl)methylcarbamoyl]piperidine-1-carboxylate
CID 89263780

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-carbamoyl-4-(6-chloropyrazin-2-yl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-carbamoyl-4-(6-chloropyrazin-2-yl)piperidine-1-carboxylate (CID 167995710) is tert-butyl 4-carbamoyl-4-(6-chloropyrazin-2-yl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-carbamoyl-4-(6-chloropyrazin-2-yl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-carbamoyl-4-(6-chloropyrazin-2-yl)piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(C(N)=O)(c2cncc(Cl)n2)CC1.
What is the InChIKey of tert-butyl 4-carbamoyl-4-(6-chloropyrazin-2-yl)piperidine-1-carboxylate?
The InChIKey is DRYTYGLUBZQDLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN4O3/c1-14(2,3)23-13(22)20-6-4-15(5-7-20,12(17)21)10-8-18-9-11(16)19-10/h8-9H,4-7H2,1-3H3,(H2,17,21).
What are the key properties of tert-butyl 4-carbamoyl-4-(6-chloropyrazin-2-yl)piperidine-1-carboxylate?
tert-butyl 4-carbamoyl-4-(6-chloropyrazin-2-yl)piperidine-1-carboxylate has a molecular weight of 340.81 g/mol, XLogP of 1.88, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-carbamoyl-4-(6-chloropyrazin-2-yl)piperidine-1-carboxylate is sourced from PubChem (CID 167995710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).