tert-butyl 4-(methylcarbamoyl)piperidine-1-carboxylate;methanol;N-methylpiperidine-4-carboxamide

C20H40N4O5 — CID 159572531

IUPACtert-butyl 4-(methylcarbamoyl)piperidine-1-carboxylate;methanol;N-methylpiperidine-4-carboxamide
SMILESCNC(=O)C1CCN(C(=O)OC(C)(C)C)CC1.CNC(=O)C1CCNCC1.CO
InChIInChI=1S/C12H22N2O3.C7H14N2O.CH4O/c1-12(2,3)17-11(16)14-7-5-9(6-8-14)10(15)13-4;1-8-7(10)6-2-4-9-5-3-6;1-2/h9H,5-8H2,1-4H3,(H,13,15);6,9H,2-5H2,1H3,(H,8,10);2H,1H3
InChIKeyMHZPSTPKKGRAHX-UHFFFAOYSA-N
MW416.56 g/mol
LogP0.72
Rot. Bonds2

About tert-butyl 4-(methylcarbamoyl)piperidine-1-carboxylate;methanol;N-methylpiperidine-4-carboxamide

tert-butyl 4-(methylcarbamoyl)piperidine-1-carboxylate;methanol;N-methylpiperidine-4-carboxamide (PubChem CID 159572531) has the molecular formula C20H40N4O5 and a molecular weight of 416.56 g/mol. Its IUPAC name is tert-butyl 4-(methylcarbamoyl)piperidine-1-carboxylate;methanol;N-methylpiperidine-4-carboxamide.

Molecular Properties

Compound Nametert-butyl 4-(methylcarbamoyl)piperidine-1-carboxylate;methanol;N-methylpiperidine-4-carboxamide
PubChem CID159572531
Molecular FormulaC20H40N4O5
Molecular Weight416.56 g/mol
Exact Mass416.30
IUPAC Nametert-butyl 4-(methylcarbamoyl)piperidine-1-carboxylate;methanol;N-methylpiperidine-4-carboxamide
SMILESCNC(=O)C1CCN(C(=O)OC(C)(C)C)CC1.CNC(=O)C1CCNCC1.CO
InChIInChI=1S/C12H22N2O3.C7H14N2O.CH4O/c1-12(2,3)17-11(16)14-7-5-9(6-8-14)10(15)13-4;1-8-7(10)6-2-4-9-5-3-6;1-2/h9H,5-8H2,1-4H3,(H,13,15);6,9H,2-5H2,1H3,(H,8,10);2H,1H3
InChIKeyMHZPSTPKKGRAHX-UHFFFAOYSA-N
XLogP0.72
TPSA120.00 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.56
LogP ≤ 50.72
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

Tert-butyl 4-(piperazine-1-carbonyl)piperidine-1-carboxylate
CID 21839532
4-(Methoxymethylcarbamoyl)piperidine-1-carboxylic acid tert-butyl ester
CID 44203202
Tert-butyl 4-(piperidine-4-carbonyl)piperazine-1-carboxylate
CID 10803972
tert-butyl 4-[2-(dimethylamino)-2-oxoethyl]piperidine-1-carboxylate;N,N-dimethyl-2-piperidin-4-ylacetamide;2,2,2-trifluoroacetic acid
CID 163508004
tert-butyl N-[4-[4-(methylcarbamoyl)piperidin-1-yl]-4-oxobutyl]carbamate
CID 176432976
Tert-butyl 4-[4-(cyclohexylcarbamoyl)piperidine-1-carbonyl]piperidine-1-carboxylate
CID 46344363
Tert-butyl 4-(3-morpholinopropylcarbamoyl)piperidine-1-carboxylate
CID 3913788
N,N-bis[(1-tert-butoxycarbonyl-4-piperidinyl)methyl]amine
CID 18770462
Tert-butyl 4-(cyclohexylcarbamoyl)piperidine-1-carboxylate;carbonic acid
CID 22362441
Tert-butyl 4-[3-[4-[(3-methoxy-3-oxopropyl)carbamoyl]piperidin-1-yl]-3-oxopropyl]piperidine-1-carboxylate
CID 22611968
3-[[1-[3-[1-[(2-Methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]propanoyl]piperidine-4-carbonyl]amino]propanoic acid
CID 22612017
Tert-butyl 4-(2-piperidin-1-ylethylcarbamoyl)piperidine-1-carboxylate
CID 53501887

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(methylcarbamoyl)piperidine-1-carboxylate;methanol;N-methylpiperidine-4-carboxamide?
The IUPAC name of tert-butyl 4-(methylcarbamoyl)piperidine-1-carboxylate;methanol;N-methylpiperidine-4-carboxamide (CID 159572531) is tert-butyl 4-(methylcarbamoyl)piperidine-1-carboxylate;methanol;N-methylpiperidine-4-carboxamide.
What is the SMILES notation for tert-butyl 4-(methylcarbamoyl)piperidine-1-carboxylate;methanol;N-methylpiperidine-4-carboxamide?
The canonical SMILES for tert-butyl 4-(methylcarbamoyl)piperidine-1-carboxylate;methanol;N-methylpiperidine-4-carboxamide is CNC(=O)C1CCN(C(=O)OC(C)(C)C)CC1.CNC(=O)C1CCNCC1.CO.
What is the InChIKey of tert-butyl 4-(methylcarbamoyl)piperidine-1-carboxylate;methanol;N-methylpiperidine-4-carboxamide?
The InChIKey is MHZPSTPKKGRAHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3.C7H14N2O.CH4O/c1-12(2,3)17-11(16)14-7-5-9(6-8-14)10(15)13-4;1-8-7(10)6-2-4-9-5-3-6;1-2/h9H,5-8H2,1-4H3,(H,13,15);6,9H,2-5H2,1H3,(H,8,10);2H,1H3.
What are the key properties of tert-butyl 4-(methylcarbamoyl)piperidine-1-carboxylate;methanol;N-methylpiperidine-4-carboxamide?
tert-butyl 4-(methylcarbamoyl)piperidine-1-carboxylate;methanol;N-methylpiperidine-4-carboxamide has a molecular weight of 416.56 g/mol, XLogP of 0.72, 2 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(methylcarbamoyl)piperidine-1-carboxylate;methanol;N-methylpiperidine-4-carboxamide is sourced from PubChem (CID 159572531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).