tert-butyl 4-(dimethylcarbamoyl)piperidine-1-carboxylate;N,N-dimethylpiperidine-4-carboxamide;methanol

C22H44N4O5 — CID 158370408

IUPACtert-butyl 4-(dimethylcarbamoyl)piperidine-1-carboxylate;N,N-dimethylpiperidine-4-carboxamide;methanol
SMILESCN(C)C(=O)C1CCN(C(=O)OC(C)(C)C)CC1.CN(C)C(=O)C1CCNCC1.CO
InChIInChI=1S/C13H24N2O3.C8H16N2O.CH4O/c1-13(2,3)18-12(17)15-8-6-10(7-9-15)11(16)14(4)5;1-10(2)8(11)7-3-5-9-6-4-7;1-2/h10H,6-9H2,1-5H3;7,9H,3-6H2,1-2H3;2H,1H3
InChIKeyGUNRTYMTLPACAZ-UHFFFAOYSA-N
MW444.62 g/mol
LogP1.40
Rot. Bonds2

About tert-butyl 4-(dimethylcarbamoyl)piperidine-1-carboxylate;N,N-dimethylpiperidine-4-carboxamide;methanol

tert-butyl 4-(dimethylcarbamoyl)piperidine-1-carboxylate;N,N-dimethylpiperidine-4-carboxamide;methanol (PubChem CID 158370408) has the molecular formula C22H44N4O5 and a molecular weight of 444.62 g/mol. Its IUPAC name is tert-butyl 4-(dimethylcarbamoyl)piperidine-1-carboxylate;N,N-dimethylpiperidine-4-carboxamide;methanol.

Molecular Properties

Compound Nametert-butyl 4-(dimethylcarbamoyl)piperidine-1-carboxylate;N,N-dimethylpiperidine-4-carboxamide;methanol
PubChem CID158370408
Molecular FormulaC22H44N4O5
Molecular Weight444.62 g/mol
Exact Mass444.33
IUPAC Nametert-butyl 4-(dimethylcarbamoyl)piperidine-1-carboxylate;N,N-dimethylpiperidine-4-carboxamide;methanol
SMILESCN(C)C(=O)C1CCN(C(=O)OC(C)(C)C)CC1.CN(C)C(=O)C1CCNCC1.CO
InChIInChI=1S/C13H24N2O3.C8H16N2O.CH4O/c1-13(2,3)18-12(17)15-8-6-10(7-9-15)11(16)14(4)5;1-10(2)8(11)7-3-5-9-6-4-7;1-2/h10H,6-9H2,1-5H3;7,9H,3-6H2,1-2H3;2H,1H3
InChIKeyGUNRTYMTLPACAZ-UHFFFAOYSA-N
XLogP1.40
TPSA102.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.62
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze tert-butyl 4-(dimethylcarbamoyl)piperidine-1-carboxylate;N,N-dimethylpiperidine-4-carboxamide;methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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-(dimethylcarbamoyl)piperidine-1-carboxylate;N,N-dimethylpiperidine-4-carboxamide;methanol?
The IUPAC name of tert-butyl 4-(dimethylcarbamoyl)piperidine-1-carboxylate;N,N-dimethylpiperidine-4-carboxamide;methanol (CID 158370408) is tert-butyl 4-(dimethylcarbamoyl)piperidine-1-carboxylate;N,N-dimethylpiperidine-4-carboxamide;methanol.
What is the SMILES notation for tert-butyl 4-(dimethylcarbamoyl)piperidine-1-carboxylate;N,N-dimethylpiperidine-4-carboxamide;methanol?
The canonical SMILES for tert-butyl 4-(dimethylcarbamoyl)piperidine-1-carboxylate;N,N-dimethylpiperidine-4-carboxamide;methanol is CN(C)C(=O)C1CCN(C(=O)OC(C)(C)C)CC1.CN(C)C(=O)C1CCNCC1.CO.
What is the InChIKey of tert-butyl 4-(dimethylcarbamoyl)piperidine-1-carboxylate;N,N-dimethylpiperidine-4-carboxamide;methanol?
The InChIKey is GUNRTYMTLPACAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3.C8H16N2O.CH4O/c1-13(2,3)18-12(17)15-8-6-10(7-9-15)11(16)14(4)5;1-10(2)8(11)7-3-5-9-6-4-7;1-2/h10H,6-9H2,1-5H3;7,9H,3-6H2,1-2H3;2H,1H3.
What are the key properties of tert-butyl 4-(dimethylcarbamoyl)piperidine-1-carboxylate;N,N-dimethylpiperidine-4-carboxamide;methanol?
tert-butyl 4-(dimethylcarbamoyl)piperidine-1-carboxylate;N,N-dimethylpiperidine-4-carboxamide;methanol has a molecular weight of 444.62 g/mol, XLogP of 1.40, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(dimethylcarbamoyl)piperidine-1-carboxylate;N,N-dimethylpiperidine-4-carboxamide;methanol is sourced from PubChem (CID 158370408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).