tert-butyl N-[3-methyl-2-[[(1-methyl-6-oxopiperidin-3-yl)amino]methyl]butyl]carbamate

C17H33N3O3 — CID 107442318

IUPACtert-butyl N-[3-methyl-2-[[(1-methyl-6-oxopiperidin-3-yl)amino]methyl]butyl]carbamate
SMILESCC(C)C(CNC(=O)OC(C)(C)C)CNC1CCC(=O)N(C)C1
InChIInChI=1S/C17H33N3O3/c1-12(2)13(10-19-16(22)23-17(3,4)5)9-18-14-7-8-15(21)20(6)11-14/h12-14,18H,7-11H2,1-6H3,(H,19,22)
InChIKeyUUKUYEGRKKJIIP-UHFFFAOYSA-N
MW327.47 g/mol
LogP1.99
Rot. Bonds6

About tert-butyl N-[3-methyl-2-[[(1-methyl-6-oxopiperidin-3-yl)amino]methyl]butyl]carbamate

tert-butyl N-[3-methyl-2-[[(1-methyl-6-oxopiperidin-3-yl)amino]methyl]butyl]carbamate (PubChem CID 107442318) has the molecular formula C17H33N3O3 and a molecular weight of 327.47 g/mol. Its IUPAC name is tert-butyl N-[3-methyl-2-[[(1-methyl-6-oxopiperidin-3-yl)amino]methyl]butyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-methyl-2-[[(1-methyl-6-oxopiperidin-3-yl)amino]methyl]butyl]carbamate
PubChem CID107442318
Molecular FormulaC17H33N3O3
Molecular Weight327.47 g/mol
Exact Mass327.25
IUPAC Nametert-butyl N-[3-methyl-2-[[(1-methyl-6-oxopiperidin-3-yl)amino]methyl]butyl]carbamate
SMILESCC(C)C(CNC(=O)OC(C)(C)C)CNC1CCC(=O)N(C)C1
InChIInChI=1S/C17H33N3O3/c1-12(2)13(10-19-16(22)23-17(3,4)5)9-18-14-7-8-15(21)20(6)11-14/h12-14,18H,7-11H2,1-6H3,(H,19,22)
InChIKeyUUKUYEGRKKJIIP-UHFFFAOYSA-N
XLogP1.99
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.47
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[2-[(cyclooctylamino)methyl]-3-methylbutyl]carbamate
CID 107440994
tert-butyl N-[2-[[(4-hydroxycyclohexyl)amino]methyl]-3-methylbutyl]carbamate
CID 107441028
tert-butyl N-[3-methyl-2-[(oxan-4-ylamino)methyl]butyl]carbamate
CID 107441396
tert-butyl N-[2-[[(2,6-dioxopiperidin-3-yl)amino]methyl]-3-methylbutyl]carbamate
CID 107442391
tert-butyl N-[2-[(cyclohex-3-en-1-ylamino)methyl]-3-methylbutyl]carbamate
CID 107442378
1-methyl-5-(2-methylbutylamino)piperidin-2-one
CID 64654315
tert-butyl N-[3-methyl-2-[[(1-methylpiperidin-3-yl)methylamino]methyl]butyl]carbamate
CID 107442090
methyl 2,2-dimethyl-3-[(1-methyl-6-oxopiperidin-3-yl)amino]propanoate
CID 79624900
tert-butyl 4-[(1-methyl-6-oxopiperidin-3-yl)amino]-4-oxobutanoate
CID 106707504
tert-butyl N-[2-[[[2-(cyclopropylmethylamino)-2-oxoethyl]amino]methyl]-3-methylbutyl]carbamate
CID 126816079
N-(3-methylbutan-2-yl)-2-[(1-methyl-6-oxopiperidin-3-yl)amino]acetamide
CID 64655543
3-methyl-2-[[(1-methyl-6-oxopiperidin-3-yl)carbamoylamino]methyl]butanoic acid
CID 65224311

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-methyl-2-[[(1-methyl-6-oxopiperidin-3-yl)amino]methyl]butyl]carbamate?
The IUPAC name of tert-butyl N-[3-methyl-2-[[(1-methyl-6-oxopiperidin-3-yl)amino]methyl]butyl]carbamate (CID 107442318) is tert-butyl N-[3-methyl-2-[[(1-methyl-6-oxopiperidin-3-yl)amino]methyl]butyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-methyl-2-[[(1-methyl-6-oxopiperidin-3-yl)amino]methyl]butyl]carbamate?
The canonical SMILES for tert-butyl N-[3-methyl-2-[[(1-methyl-6-oxopiperidin-3-yl)amino]methyl]butyl]carbamate is CC(C)C(CNC(=O)OC(C)(C)C)CNC1CCC(=O)N(C)C1.
What is the InChIKey of tert-butyl N-[3-methyl-2-[[(1-methyl-6-oxopiperidin-3-yl)amino]methyl]butyl]carbamate?
The InChIKey is UUKUYEGRKKJIIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3O3/c1-12(2)13(10-19-16(22)23-17(3,4)5)9-18-14-7-8-15(21)20(6)11-14/h12-14,18H,7-11H2,1-6H3,(H,19,22).
What are the key properties of tert-butyl N-[3-methyl-2-[[(1-methyl-6-oxopiperidin-3-yl)amino]methyl]butyl]carbamate?
tert-butyl N-[3-methyl-2-[[(1-methyl-6-oxopiperidin-3-yl)amino]methyl]butyl]carbamate has a molecular weight of 327.47 g/mol, XLogP of 1.99, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-methyl-2-[[(1-methyl-6-oxopiperidin-3-yl)amino]methyl]butyl]carbamate is sourced from PubChem (CID 107442318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).