tert-butyl 4-acetamido-4-methylpiperidine-1-carboxylate;N-(4-methylpiperidin-4-yl)acetamide

C21H40N4O4 — CID 158308356

IUPACtert-butyl 4-acetamido-4-methylpiperidine-1-carboxylate;N-(4-methylpiperidin-4-yl)acetamide
SMILESCC(=O)NC1(C)CCN(C(=O)OC(C)(C)C)CC1.CC(=O)NC1(C)CCNCC1
InChIInChI=1S/C13H24N2O3.C8H16N2O/c1-10(16)14-13(5)6-8-15(9-7-13)11(17)18-12(2,3)4;1-7(11)10-8(2)3-5-9-6-4-8/h6-9H2,1-5H3,(H,14,16);9H,3-6H2,1-2H3,(H,10,11)
InChIKeyGNJJBBDCCXABDY-UHFFFAOYSA-N
MW412.58 g/mol
LogP2.18
Rot. Bonds2

About tert-butyl 4-acetamido-4-methylpiperidine-1-carboxylate;N-(4-methylpiperidin-4-yl)acetamide

tert-butyl 4-acetamido-4-methylpiperidine-1-carboxylate;N-(4-methylpiperidin-4-yl)acetamide (PubChem CID 158308356) has the molecular formula C21H40N4O4 and a molecular weight of 412.58 g/mol. Its IUPAC name is tert-butyl 4-acetamido-4-methylpiperidine-1-carboxylate;N-(4-methylpiperidin-4-yl)acetamide.

Molecular Properties

Compound Nametert-butyl 4-acetamido-4-methylpiperidine-1-carboxylate;N-(4-methylpiperidin-4-yl)acetamide
PubChem CID158308356
Molecular FormulaC21H40N4O4
Molecular Weight412.58 g/mol
Exact Mass412.30
IUPAC Nametert-butyl 4-acetamido-4-methylpiperidine-1-carboxylate;N-(4-methylpiperidin-4-yl)acetamide
SMILESCC(=O)NC1(C)CCN(C(=O)OC(C)(C)C)CC1.CC(=O)NC1(C)CCNCC1
InChIInChI=1S/C13H24N2O3.C8H16N2O/c1-10(16)14-13(5)6-8-15(9-7-13)11(17)18-12(2,3)4;1-7(11)10-8(2)3-5-9-6-4-8/h6-9H2,1-5H3,(H,14,16);9H,3-6H2,1-2H3,(H,10,11)
InChIKeyGNJJBBDCCXABDY-UHFFFAOYSA-N
XLogP2.18
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.58
LogP ≤ 52.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

Tert-butyl 4-[(1-tert-butoxycarbonyl-4-piperidyl)carbamoylamino]piperidine-1-carboxylate
CID 392872
tert-Butyl 1,9-diazaspiro[5.5]undecane-9-carboxylate
CID 25216345
Tert-butyl 4-(4-aminopiperidine-1-carbonyl)piperidine-1-carboxylate
CID 50986420
tert-butyl N-methyl-N-(4-methylpiperidin-4-yl)carbamate
CID 50988935
tert-Butyl 2-oxo-1,4,9-triazaspiro[5.5]undecane-9-carboxylate
CID 118798342
Tert-butyl 4-[methyl(piperidin-4-yl)amino]piperidine-1-carboxylate
CID 156292820
tert-butyl N-[1-(piperidine-4-carbonyl)piperidin-4-yl]carbamate
CID 50986483
Tert-butyl 4-methyl-1,4,9-triazaspiro[5.5]undecane-1-carboxylate
CID 82379324
Tert-butyl 1-[2-oxo-2-(3-oxopiperazin-1-yl)ethyl]-1,4-diazaspiro[5.5]undecane-4-carboxylate
CID 71866190
Tert-butyl 4-[1-[(1-tert-butylpiperidin-4-yl)amino]-2-methyl-1-oxopropan-2-yl]piperazine-1-carboxylate
CID 75423530
Tert-butyl 1,9-diazaspiro[5.5]undecane-1-carboxylate
CID 25212673
Tert-butyl 4-(4-methylpiperazin-1-yl)-4-[[(2,2,2-trifluoroacetyl)amino]methyl]piperidine-1-carboxylate
CID 89812113

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-acetamido-4-methylpiperidine-1-carboxylate;N-(4-methylpiperidin-4-yl)acetamide?
The IUPAC name of tert-butyl 4-acetamido-4-methylpiperidine-1-carboxylate;N-(4-methylpiperidin-4-yl)acetamide (CID 158308356) is tert-butyl 4-acetamido-4-methylpiperidine-1-carboxylate;N-(4-methylpiperidin-4-yl)acetamide.
What is the SMILES notation for tert-butyl 4-acetamido-4-methylpiperidine-1-carboxylate;N-(4-methylpiperidin-4-yl)acetamide?
The canonical SMILES for tert-butyl 4-acetamido-4-methylpiperidine-1-carboxylate;N-(4-methylpiperidin-4-yl)acetamide is CC(=O)NC1(C)CCN(C(=O)OC(C)(C)C)CC1.CC(=O)NC1(C)CCNCC1.
What is the InChIKey of tert-butyl 4-acetamido-4-methylpiperidine-1-carboxylate;N-(4-methylpiperidin-4-yl)acetamide?
The InChIKey is GNJJBBDCCXABDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3.C8H16N2O/c1-10(16)14-13(5)6-8-15(9-7-13)11(17)18-12(2,3)4;1-7(11)10-8(2)3-5-9-6-4-8/h6-9H2,1-5H3,(H,14,16);9H,3-6H2,1-2H3,(H,10,11).
What are the key properties of tert-butyl 4-acetamido-4-methylpiperidine-1-carboxylate;N-(4-methylpiperidin-4-yl)acetamide?
tert-butyl 4-acetamido-4-methylpiperidine-1-carboxylate;N-(4-methylpiperidin-4-yl)acetamide has a molecular weight of 412.58 g/mol, XLogP of 2.18, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-acetamido-4-methylpiperidine-1-carboxylate;N-(4-methylpiperidin-4-yl)acetamide is sourced from PubChem (CID 158308356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).