tert-butyl 3-[acetyl(propyl)amino]-4-methylpiperidine-1-carboxylate

C16H30N2O3 — CID 123539850

IUPACtert-butyl 3-[acetyl(propyl)amino]-4-methylpiperidine-1-carboxylate
SMILESCCCN(C(C)=O)C1CN(C(=O)OC(C)(C)C)CCC1C
InChIInChI=1S/C16H30N2O3/c1-7-9-18(13(3)19)14-11-17(10-8-12(14)2)15(20)21-16(4,5)6/h12,14H,7-11H2,1-6H3
InChIKeyMMQVVMUBWIGJAC-UHFFFAOYSA-N
MW298.43 g/mol
LogP2.89
Rot. Bonds3

About tert-butyl 3-[acetyl(propyl)amino]-4-methylpiperidine-1-carboxylate

tert-butyl 3-[acetyl(propyl)amino]-4-methylpiperidine-1-carboxylate (PubChem CID 123539850) has the molecular formula C16H30N2O3 and a molecular weight of 298.43 g/mol. Its IUPAC name is tert-butyl 3-[acetyl(propyl)amino]-4-methylpiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[acetyl(propyl)amino]-4-methylpiperidine-1-carboxylate
PubChem CID123539850
Molecular FormulaC16H30N2O3
Molecular Weight298.43 g/mol
Exact Mass298.23
IUPAC Nametert-butyl 3-[acetyl(propyl)amino]-4-methylpiperidine-1-carboxylate
SMILESCCCN(C(C)=O)C1CN(C(=O)OC(C)(C)C)CCC1C
InChIInChI=1S/C16H30N2O3/c1-7-9-18(13(3)19)14-11-17(10-8-12(14)2)15(20)21-16(4,5)6/h12,14H,7-11H2,1-6H3
InChIKeyMMQVVMUBWIGJAC-UHFFFAOYSA-N
XLogP2.89
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 3-[(2-chloroacetyl)-propylamino]pyrrolidine-1-carboxylate
CID 138837244
tert-butyl (3R)-3-methylpyrrolidine-1-carboxylate
CID 59070240
trans-(1R,2R)-2-[acetyl-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]ethyl]amino]cyclopropane-1-carboxylic acid
CID 70092649
tert-butyl 4-[(dipropylamino)methyl]piperidine-1-carboxylate
CID 123464711
(3S)-3-ethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid
CID 156875278
tert-butyl (3R)-3-hydroxypyrrolidine-1-carboxylate;methanol
CID 145288050
1-[(2-methylpropan-2-yl)oxycarbonyl]-3-propylpiperidine-4-carboxylic acid
CID 84809403
tert-butyl (3R,4S)-4-amino-3-(dimethylamino)piperidine-1-carboxylate
CID 86648776
tert-butyl (1S,6R)-3-azabicyclo[4.1.0]heptane-3-carboxylate
CID 124704176
tert-butyl (4R)-4-hydroxy-3-methylpiperidine-1-carboxylate
CID 118535016
tert-butyl 3-[[di(nonyl)amino]methyl]pyrrolidine-1-carboxylate
CID 129286225
tert-butyl (3R)-3-(2-oxopropyl)pyrrolidine-1-carboxylate
CID 130861472

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[acetyl(propyl)amino]-4-methylpiperidine-1-carboxylate?
The IUPAC name of tert-butyl 3-[acetyl(propyl)amino]-4-methylpiperidine-1-carboxylate (CID 123539850) is tert-butyl 3-[acetyl(propyl)amino]-4-methylpiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-[acetyl(propyl)amino]-4-methylpiperidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-[acetyl(propyl)amino]-4-methylpiperidine-1-carboxylate is CCCN(C(C)=O)C1CN(C(=O)OC(C)(C)C)CCC1C.
What is the InChIKey of tert-butyl 3-[acetyl(propyl)amino]-4-methylpiperidine-1-carboxylate?
The InChIKey is MMQVVMUBWIGJAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O3/c1-7-9-18(13(3)19)14-11-17(10-8-12(14)2)15(20)21-16(4,5)6/h12,14H,7-11H2,1-6H3.
What are the key properties of tert-butyl 3-[acetyl(propyl)amino]-4-methylpiperidine-1-carboxylate?
tert-butyl 3-[acetyl(propyl)amino]-4-methylpiperidine-1-carboxylate has a molecular weight of 298.43 g/mol, XLogP of 2.89, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[acetyl(propyl)amino]-4-methylpiperidine-1-carboxylate is sourced from PubChem (CID 123539850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).