tert-butyl 4-(aminomethyl)-4-[(5-methyl-2-pyridinyl)carbamoyl]piperidine-1-carboxylate

C18H28N4O3 — CID 59322318

IUPACtert-butyl 4-(aminomethyl)-4-[(5-methyl-2-pyridinyl)carbamoyl]piperidine-1-carboxylate
SMILESCc1ccc(NC(=O)C2(CN)CCN(C(=O)OC(C)(C)C)CC2)nc1
InChIInChI=1S/C18H28N4O3/c1-13-5-6-14(20-11-13)21-15(23)18(12-19)7-9-22(10-8-18)16(24)25-17(2,3)4/h5-6,11H,7-10,12,19H2,1-4H3,(H,20,21,23)
InChIKeyITIOEQAYHXMTOJ-UHFFFAOYSA-N
MW348.45 g/mol
LogP2.30
Rot. Bonds3

About tert-butyl 4-(aminomethyl)-4-[(5-methyl-2-pyridinyl)carbamoyl]piperidine-1-carboxylate

tert-butyl 4-(aminomethyl)-4-[(5-methyl-2-pyridinyl)carbamoyl]piperidine-1-carboxylate (PubChem CID 59322318) has the molecular formula C18H28N4O3 and a molecular weight of 348.45 g/mol. Its IUPAC name is tert-butyl 4-(aminomethyl)-4-[(5-methyl-2-pyridinyl)carbamoyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(aminomethyl)-4-[(5-methyl-2-pyridinyl)carbamoyl]piperidine-1-carboxylate
PubChem CID59322318
Molecular FormulaC18H28N4O3
Molecular Weight348.45 g/mol
Exact Mass348.22
IUPAC Nametert-butyl 4-(aminomethyl)-4-[(5-methyl-2-pyridinyl)carbamoyl]piperidine-1-carboxylate
SMILESCc1ccc(NC(=O)C2(CN)CCN(C(=O)OC(C)(C)C)CC2)nc1
InChIInChI=1S/C18H28N4O3/c1-13-5-6-14(20-11-13)21-15(23)18(12-19)7-9-22(10-8-18)16(24)25-17(2,3)4/h5-6,11H,7-10,12,19H2,1-4H3,(H,20,21,23)
InChIKeyITIOEQAYHXMTOJ-UHFFFAOYSA-N
XLogP2.30
TPSA97.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl 4-[N'-[3-[(5-methyl-2-pyridinyl)amino]-3-oxopropyl]carbamimidoyl]piperazine-1-carboxylate
CID 111093098
tert-butyl 4-methyl-4-[(5-methyl-2-pyridinyl)methylamino]piperidine-1-carboxylate
CID 104956417
1-(aminomethyl)-3-methyl-N-(5-methyl-2-pyridinyl)cyclobutane-1-carboxamide
CID 80587423
tert-butyl (3R)-3-[[(5-methyl-2-pyridinyl)amino]methyl]pyrrolidine-1-carboxylate
CID 97176740
tert-butyl 4-cyano-4-[(5-fluoro-2-pyridinyl)carbamoyl]piperidine-1-carboxylate
CID 59322301
tert-butyl 4-methyl-4-[(4-methylphenyl)methoxy]piperidine-1-carboxylate
CID 103915896
tert-butyl (3R)-3-[(5-bromo-2-pyridinyl)carbamoyl]-3-fluoropiperidine-1-carboxylate
CID 134418918
1-[4-(aminomethyl)oxane-4-carbonyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 120939525
4-(2-aminoethyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid
CID 165495257
tert-butyl 4-(aminomethyl)-4-[methyl-[6-(trifluoromethyl)-3-pyridinyl]carbamoyl]piperidine-1-carboxylate
CID 68663148
tert-butyl 4-(2-aminoethyl)-4-methylpiperidine-1-carboxylate
CID 66660873
tert-butyl 4,4-bis(aminomethyl)piperidine-1-carboxylate
CID 126502774

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(aminomethyl)-4-[(5-methyl-2-pyridinyl)carbamoyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(aminomethyl)-4-[(5-methyl-2-pyridinyl)carbamoyl]piperidine-1-carboxylate (CID 59322318) is tert-butyl 4-(aminomethyl)-4-[(5-methyl-2-pyridinyl)carbamoyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(aminomethyl)-4-[(5-methyl-2-pyridinyl)carbamoyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(aminomethyl)-4-[(5-methyl-2-pyridinyl)carbamoyl]piperidine-1-carboxylate is Cc1ccc(NC(=O)C2(CN)CCN(C(=O)OC(C)(C)C)CC2)nc1.
What is the InChIKey of tert-butyl 4-(aminomethyl)-4-[(5-methyl-2-pyridinyl)carbamoyl]piperidine-1-carboxylate?
The InChIKey is ITIOEQAYHXMTOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O3/c1-13-5-6-14(20-11-13)21-15(23)18(12-19)7-9-22(10-8-18)16(24)25-17(2,3)4/h5-6,11H,7-10,12,19H2,1-4H3,(H,20,21,23).
What are the key properties of tert-butyl 4-(aminomethyl)-4-[(5-methyl-2-pyridinyl)carbamoyl]piperidine-1-carboxylate?
tert-butyl 4-(aminomethyl)-4-[(5-methyl-2-pyridinyl)carbamoyl]piperidine-1-carboxylate has a molecular weight of 348.45 g/mol, XLogP of 2.30, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(aminomethyl)-4-[(5-methyl-2-pyridinyl)carbamoyl]piperidine-1-carboxylate is sourced from PubChem (CID 59322318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).