tert-butyl N-[1-[1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]piperidin-4-yl]carbamate

C19H35N3O3 — CID 60513147

IUPACtert-butyl N-[1-[1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]piperidin-4-yl]carbamate
SMILESCC1CCN(C(=O)C(C)N2CCC(NC(=O)OC(C)(C)C)CC2)CC1
InChIInChI=1S/C19H35N3O3/c1-14-6-10-22(11-7-14)17(23)15(2)21-12-8-16(9-13-21)20-18(24)25-19(3,4)5/h14-16H,6-13H2,1-5H3,(H,20,24)
InChIKeyKSCHIJGZMDDZLM-UHFFFAOYSA-N
MW353.51 g/mol
LogP2.62
Rot. Bonds3

About tert-butyl N-[1-[1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]piperidin-4-yl]carbamate

tert-butyl N-[1-[1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]piperidin-4-yl]carbamate (PubChem CID 60513147) has the molecular formula C19H35N3O3 and a molecular weight of 353.51 g/mol. Its IUPAC name is tert-butyl N-[1-[1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]piperidin-4-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]piperidin-4-yl]carbamate
PubChem CID60513147
Molecular FormulaC19H35N3O3
Molecular Weight353.51 g/mol
Exact Mass353.27
IUPAC Nametert-butyl N-[1-[1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]piperidin-4-yl]carbamate
SMILESCC1CCN(C(=O)C(C)N2CCC(NC(=O)OC(C)(C)C)CC2)CC1
InChIInChI=1S/C19H35N3O3/c1-14-6-10-22(11-7-14)17(23)15(2)21-12-8-16(9-13-21)20-18(24)25-19(3,4)5/h14-16H,6-13H2,1-5H3,(H,20,24)
InChIKeyKSCHIJGZMDDZLM-UHFFFAOYSA-N
XLogP2.62
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.51
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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tert-butyl N-[1-[(2R)-2-(dimethylamino)-3-methylbutanoyl]piperidin-4-yl]carbamate
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4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylic acid
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tert-butyl N-[1-(pyrrolidine-1-carbonyl)piperidin-4-yl]carbamate
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tert-butyl N-[3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]cyclobutyl]carbamate
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tert-butyl N-(1-methylpiperidin-4-yl)carbamate;ethane
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tert-butyl N-[1-[2-(4-chlorophenyl)sulfanylpropanoyl]piperidin-4-yl]carbamate
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tert-butyl N-[1-[1-(2-methylanilino)-1-oxopropan-2-yl]piperidin-4-yl]carbamate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]piperidin-4-yl]carbamate?
The IUPAC name of tert-butyl N-[1-[1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]piperidin-4-yl]carbamate (CID 60513147) is tert-butyl N-[1-[1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]piperidin-4-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]piperidin-4-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-[1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]piperidin-4-yl]carbamate is CC1CCN(C(=O)C(C)N2CCC(NC(=O)OC(C)(C)C)CC2)CC1.
What is the InChIKey of tert-butyl N-[1-[1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]piperidin-4-yl]carbamate?
The InChIKey is KSCHIJGZMDDZLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35N3O3/c1-14-6-10-22(11-7-14)17(23)15(2)21-12-8-16(9-13-21)20-18(24)25-19(3,4)5/h14-16H,6-13H2,1-5H3,(H,20,24).
What are the key properties of tert-butyl N-[1-[1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]piperidin-4-yl]carbamate?
tert-butyl N-[1-[1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]piperidin-4-yl]carbamate has a molecular weight of 353.51 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]piperidin-4-yl]carbamate is sourced from PubChem (CID 60513147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).