tert-butyl 4-(1H-benzimidazole-4-carbonylamino)piperidine-1-carboxylate

C18H24N4O3 — CID 140513124

IUPACtert-butyl 4-(1H-benzimidazole-4-carbonylamino)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(NC(=O)c2cccc3[nH]cnc23)CC1
InChIInChI=1S/C18H24N4O3/c1-18(2,3)25-17(24)22-9-7-12(8-10-22)21-16(23)13-5-4-6-14-15(13)20-11-19-14/h4-6,11-12H,7-10H2,1-3H3,(H,19,20)(H,21,23)
InChIKeyRHHNUXAMLBIASU-UHFFFAOYSA-N
MW344.42 g/mol
LogP2.69
Rot. Bonds2

About tert-butyl 4-(1H-benzimidazole-4-carbonylamino)piperidine-1-carboxylate

tert-butyl 4-(1H-benzimidazole-4-carbonylamino)piperidine-1-carboxylate (PubChem CID 140513124) has the molecular formula C18H24N4O3 and a molecular weight of 344.42 g/mol. Its IUPAC name is tert-butyl 4-(1H-benzimidazole-4-carbonylamino)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(1H-benzimidazole-4-carbonylamino)piperidine-1-carboxylate
PubChem CID140513124
Molecular FormulaC18H24N4O3
Molecular Weight344.42 g/mol
Exact Mass344.18
IUPAC Nametert-butyl 4-(1H-benzimidazole-4-carbonylamino)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(NC(=O)c2cccc3[nH]cnc23)CC1
InChIInChI=1S/C18H24N4O3/c1-18(2,3)25-17(24)22-9-7-12(8-10-22)21-16(23)13-5-4-6-14-15(13)20-11-19-14/h4-6,11-12H,7-10H2,1-3H3,(H,19,20)(H,21,23)
InChIKeyRHHNUXAMLBIASU-UHFFFAOYSA-N
XLogP2.69
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 4-[[2-(methylamino)benzoyl]amino]piperidine-1-carboxylate
CID 126805389
tert-butyl 4-[(2-bromo-3-methoxybenzoyl)amino]piperidine-1-carboxylate
CID 172648076
tert-butyl 4-[[2-(2-methoxyethoxy)pyridine-3-carbonyl]amino]piperidine-1-carboxylate
CID 47072487
3-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]carbamoyl]benzoic acid
CID 53255865
tert-butyl 4-(3H-benzimidazol-5-ylamino)piperidine-1-carboxylate
CID 22100837
tert-butyl 3-[[2-(methylamino)benzoyl]amino]pyrrolidine-1-carboxylate
CID 119054201
ethyl 6-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]carbamoyl]pyridine-2-carboxylate
CID 59406435
tert-butyl 4-[(3-fluorobenzoyl)amino]piperidine-1-carboxylate
CID 53255515
tert-butyl 4-(pyrimidin-2-ylamino)piperidine-1-carboxylate
CID 2763949
tert-butyl 4-[(2-amino-5-methylbenzoyl)amino]piperidine-1-carboxylate
CID 126455593
tert-butyl 4-[[4-(1,2-oxazol-3-ylcarbamoyl)-1H-imidazole-5-carbonyl]amino]piperidine-1-carboxylate
CID 42628369
tert-butyl 4-[[1-(4-fluorophenyl)-5-methylpyrazole-4-carbonyl]amino]piperidine-1-carboxylate
CID 52731094

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(1H-benzimidazole-4-carbonylamino)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(1H-benzimidazole-4-carbonylamino)piperidine-1-carboxylate (CID 140513124) is tert-butyl 4-(1H-benzimidazole-4-carbonylamino)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(1H-benzimidazole-4-carbonylamino)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(1H-benzimidazole-4-carbonylamino)piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(NC(=O)c2cccc3[nH]cnc23)CC1.
What is the InChIKey of tert-butyl 4-(1H-benzimidazole-4-carbonylamino)piperidine-1-carboxylate?
The InChIKey is RHHNUXAMLBIASU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O3/c1-18(2,3)25-17(24)22-9-7-12(8-10-22)21-16(23)13-5-4-6-14-15(13)20-11-19-14/h4-6,11-12H,7-10H2,1-3H3,(H,19,20)(H,21,23).
What are the key properties of tert-butyl 4-(1H-benzimidazole-4-carbonylamino)piperidine-1-carboxylate?
tert-butyl 4-(1H-benzimidazole-4-carbonylamino)piperidine-1-carboxylate has a molecular weight of 344.42 g/mol, XLogP of 2.69, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(1H-benzimidazole-4-carbonylamino)piperidine-1-carboxylate is sourced from PubChem (CID 140513124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).