tert-butyl 4-[[2-(2-methoxyethoxy)pyridine-3-carbonyl]amino]piperidine-1-carboxylate

C19H29N3O5 — CID 47072487

IUPACtert-butyl 4-[[2-(2-methoxyethoxy)pyridine-3-carbonyl]amino]piperidine-1-carboxylate
SMILESCOCCOc1ncccc1C(=O)NC1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C19H29N3O5/c1-19(2,3)27-18(24)22-10-7-14(8-11-22)21-16(23)15-6-5-9-20-17(15)26-13-12-25-4/h5-6,9,14H,7-8,10-13H2,1-4H3,(H,21,23)
InChIKeyIOYIQBHZLMZQQN-UHFFFAOYSA-N
MW379.46 g/mol
LogP2.24
Rot. Bonds6

About tert-butyl 4-[[2-(2-methoxyethoxy)pyridine-3-carbonyl]amino]piperidine-1-carboxylate

tert-butyl 4-[[2-(2-methoxyethoxy)pyridine-3-carbonyl]amino]piperidine-1-carboxylate (PubChem CID 47072487) has the molecular formula C19H29N3O5 and a molecular weight of 379.46 g/mol. Its IUPAC name is tert-butyl 4-[[2-(2-methoxyethoxy)pyridine-3-carbonyl]amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[[2-(2-methoxyethoxy)pyridine-3-carbonyl]amino]piperidine-1-carboxylate
PubChem CID47072487
Molecular FormulaC19H29N3O5
Molecular Weight379.46 g/mol
Exact Mass379.21
IUPAC Nametert-butyl 4-[[2-(2-methoxyethoxy)pyridine-3-carbonyl]amino]piperidine-1-carboxylate
SMILESCOCCOc1ncccc1C(=O)NC1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C19H29N3O5/c1-19(2,3)27-18(24)22-10-7-14(8-11-22)21-16(23)15-6-5-9-20-17(15)26-13-12-25-4/h5-6,9,14H,7-8,10-13H2,1-4H3,(H,21,23)
InChIKeyIOYIQBHZLMZQQN-UHFFFAOYSA-N
XLogP2.24
TPSA89.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[1-(2,2-difluoroethyl)piperidin-4-yl]-2-(2-methoxyethoxy)pyridine-3-carboxamide
CID 49072325
tert-butyl 4-[[2-(methylamino)benzoyl]amino]piperidine-1-carboxylate
CID 126805389
ethyl 4-[(2-methoxypyridine-3-carbonyl)amino]azepane-1-carboxylate
CID 59150729
tert-butyl 4-[(2-bromo-3-methoxybenzoyl)amino]piperidine-1-carboxylate
CID 172648076
tert-butyl 4-(1H-benzimidazole-4-carbonylamino)piperidine-1-carboxylate
CID 140513124
2-(2-methoxyethoxy)-N-[(3S)-1-methyl-5-oxopyrrolidin-3-yl]pyridine-3-carboxamide
CID 95290165
tert-butyl 4-[[[2-(2-methoxy-3-pyridinyl)acetyl]amino]methyl]piperidine-1-carboxylate
CID 139805161
tert-butyl 4-[(2-pyridin-3-yloxyacetyl)amino]piperidine-1-carboxylate
CID 69321662
tert-butyl 4-(pyrimidin-2-ylamino)piperidine-1-carboxylate
CID 2763949
tert-butyl 3-[[2-(methylamino)benzoyl]amino]pyrrolidine-1-carboxylate
CID 119054201
3-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]carbamoyl]benzoic acid
CID 53255865
tert-butyl 4-[[(2-chloropyridine-3-carbonyl)amino]methyl]piperidine-1-carboxylate
CID 66569724

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[[2-(2-methoxyethoxy)pyridine-3-carbonyl]amino]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[[2-(2-methoxyethoxy)pyridine-3-carbonyl]amino]piperidine-1-carboxylate (CID 47072487) is tert-butyl 4-[[2-(2-methoxyethoxy)pyridine-3-carbonyl]amino]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[[2-(2-methoxyethoxy)pyridine-3-carbonyl]amino]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[[2-(2-methoxyethoxy)pyridine-3-carbonyl]amino]piperidine-1-carboxylate is COCCOc1ncccc1C(=O)NC1CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-[[2-(2-methoxyethoxy)pyridine-3-carbonyl]amino]piperidine-1-carboxylate?
The InChIKey is IOYIQBHZLMZQQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O5/c1-19(2,3)27-18(24)22-10-7-14(8-11-22)21-16(23)15-6-5-9-20-17(15)26-13-12-25-4/h5-6,9,14H,7-8,10-13H2,1-4H3,(H,21,23).
What are the key properties of tert-butyl 4-[[2-(2-methoxyethoxy)pyridine-3-carbonyl]amino]piperidine-1-carboxylate?
tert-butyl 4-[[2-(2-methoxyethoxy)pyridine-3-carbonyl]amino]piperidine-1-carboxylate has a molecular weight of 379.46 g/mol, XLogP of 2.24, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[[2-(2-methoxyethoxy)pyridine-3-carbonyl]amino]piperidine-1-carboxylate is sourced from PubChem (CID 47072487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).