tert-butyl 3-[(6-methyl-2-pyridinyl)carbamoyl]piperidine-1-carboxylate

C17H25N3O3 — CID 18107272

IUPACtert-butyl 3-[(6-methyl-2-pyridinyl)carbamoyl]piperidine-1-carboxylate
SMILESCc1cccc(NC(=O)C2CCCN(C(=O)OC(C)(C)C)C2)n1
InChIInChI=1S/C17H25N3O3/c1-12-7-5-9-14(18-12)19-15(21)13-8-6-10-20(11-13)16(22)23-17(2,3)4/h5,7,9,13H,6,8,10-11H2,1-4H3,(H,18,19,21)
InChIKeyFGCXPZCVZFWDMO-UHFFFAOYSA-N
MW319.40 g/mol
LogP2.98
Rot. Bonds2

About tert-butyl 3-[(6-methyl-2-pyridinyl)carbamoyl]piperidine-1-carboxylate

tert-butyl 3-[(6-methyl-2-pyridinyl)carbamoyl]piperidine-1-carboxylate (PubChem CID 18107272) has the molecular formula C17H25N3O3 and a molecular weight of 319.40 g/mol. Its IUPAC name is tert-butyl 3-[(6-methyl-2-pyridinyl)carbamoyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[(6-methyl-2-pyridinyl)carbamoyl]piperidine-1-carboxylate
PubChem CID18107272
Molecular FormulaC17H25N3O3
Molecular Weight319.40 g/mol
Exact Mass319.19
IUPAC Nametert-butyl 3-[(6-methyl-2-pyridinyl)carbamoyl]piperidine-1-carboxylate
SMILESCc1cccc(NC(=O)C2CCCN(C(=O)OC(C)(C)C)C2)n1
InChIInChI=1S/C17H25N3O3/c1-12-7-5-9-14(18-12)19-15(21)13-8-6-10-20(11-13)16(22)23-17(2,3)4/h5,7,9,13H,6,8,10-11H2,1-4H3,(H,18,19,21)
InChIKeyFGCXPZCVZFWDMO-UHFFFAOYSA-N
XLogP2.98
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 4-[2-[3-[(6-methyl-2-pyridinyl)carbamoyl]piperidine-1-carbonyl]pyrrol-1-yl]piperidine-1-carboxylate
CID 56513052
tert-butyl 3-[2-[(6-methyl-2-pyridinyl)amino]ethyl]piperidine-1-carboxylate
CID 133483087
tert-butyl 3-[(4-methyl-1,3-thiazol-2-yl)carbamoyl]piperidine-1-carboxylate
CID 47016276
tert-butyl 3-[(5-methyl-1H-pyrazol-3-yl)carbamoyl]piperidine-1-carboxylate
CID 84554290
tert-butyl (3R)-3-[(4-methyl-2-pyridinyl)carbamoyl]piperidine-1-carboxylate
CID 41083455
N-(6-methyl-2-pyridinyl)-1-(piperidine-4-carbonyl)piperidine-3-carboxamide
CID 119855048
1-(2-chlorobenzoyl)-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 55813036
tert-butyl 3-[(1-methylpyrazol-3-yl)carbamoyl]piperidine-1-carboxylate
CID 18152683
1-(4-chlorobenzoyl)-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 51188759
1-(2-tert-butyl-1,3-thiazole-5-carbonyl)-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 47892218
1-(3-amino-2-methylbutanoyl)-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide;dihydrochloride
CID 120503103
tert-butyl 3-[(4-methoxyphenyl)carbamoyl]piperidine-1-carboxylate
CID 24513638

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[(6-methyl-2-pyridinyl)carbamoyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 3-[(6-methyl-2-pyridinyl)carbamoyl]piperidine-1-carboxylate (CID 18107272) is tert-butyl 3-[(6-methyl-2-pyridinyl)carbamoyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-[(6-methyl-2-pyridinyl)carbamoyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-[(6-methyl-2-pyridinyl)carbamoyl]piperidine-1-carboxylate is Cc1cccc(NC(=O)C2CCCN(C(=O)OC(C)(C)C)C2)n1.
What is the InChIKey of tert-butyl 3-[(6-methyl-2-pyridinyl)carbamoyl]piperidine-1-carboxylate?
The InChIKey is FGCXPZCVZFWDMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O3/c1-12-7-5-9-14(18-12)19-15(21)13-8-6-10-20(11-13)16(22)23-17(2,3)4/h5,7,9,13H,6,8,10-11H2,1-4H3,(H,18,19,21).
What are the key properties of tert-butyl 3-[(6-methyl-2-pyridinyl)carbamoyl]piperidine-1-carboxylate?
tert-butyl 3-[(6-methyl-2-pyridinyl)carbamoyl]piperidine-1-carboxylate has a molecular weight of 319.40 g/mol, XLogP of 2.98, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[(6-methyl-2-pyridinyl)carbamoyl]piperidine-1-carboxylate is sourced from PubChem (CID 18107272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).