N-[[1-(3,3-dimethyl-2-oxobutyl)piperidin-4-yl]methyl]carbamate

C13H23N2O3- — CID 22313267

IUPACN-[[1-(3,3-dimethyl-2-oxobutyl)piperidin-4-yl]methyl]carbamate
SMILESCC(C)(C)C(=O)CN1CCC(CNC(=O)[O-])CC1
InChIInChI=1S/C13H24N2O3/c1-13(2,3)11(16)9-15-6-4-10(5-7-15)8-14-12(17)18/h10,14H,4-9H2,1-3H3,(H,17,18)/p-1
InChIKeyMKWPWDCCHCNRQD-UHFFFAOYSA-M
MW255.34 g/mol
LogP0.25
Rot. Bonds4

About N-[[1-(3,3-dimethyl-2-oxobutyl)piperidin-4-yl]methyl]carbamate

N-[[1-(3,3-dimethyl-2-oxobutyl)piperidin-4-yl]methyl]carbamate (PubChem CID 22313267) has the molecular formula C13H23N2O3- and a molecular weight of 255.34 g/mol. Its IUPAC name is N-[[1-(3,3-dimethyl-2-oxobutyl)piperidin-4-yl]methyl]carbamate.

Molecular Properties

Compound NameN-[[1-(3,3-dimethyl-2-oxobutyl)piperidin-4-yl]methyl]carbamate
PubChem CID22313267
Molecular FormulaC13H23N2O3-
Molecular Weight255.34 g/mol
Exact Mass255.17
IUPAC NameN-[[1-(3,3-dimethyl-2-oxobutyl)piperidin-4-yl]methyl]carbamate
SMILESCC(C)(C)C(=O)CN1CCC(CNC(=O)[O-])CC1
InChIInChI=1S/C13H24N2O3/c1-13(2,3)11(16)9-15-6-4-10(5-7-15)8-14-12(17)18/h10,14H,4-9H2,1-3H3,(H,17,18)/p-1
InChIKeyMKWPWDCCHCNRQD-UHFFFAOYSA-M
XLogP0.25
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 143709802
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CID 156820274
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CID 156820275
CID 156820275
CID 163934671
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CID 167205301
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CID 171749405
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CID 178641860
CID 178641860

Frequently Asked Questions

What is the IUPAC name of N-[[1-(3,3-dimethyl-2-oxobutyl)piperidin-4-yl]methyl]carbamate?
The IUPAC name of N-[[1-(3,3-dimethyl-2-oxobutyl)piperidin-4-yl]methyl]carbamate (CID 22313267) is N-[[1-(3,3-dimethyl-2-oxobutyl)piperidin-4-yl]methyl]carbamate.
What is the SMILES notation for N-[[1-(3,3-dimethyl-2-oxobutyl)piperidin-4-yl]methyl]carbamate?
The canonical SMILES for N-[[1-(3,3-dimethyl-2-oxobutyl)piperidin-4-yl]methyl]carbamate is CC(C)(C)C(=O)CN1CCC(CNC(=O)[O-])CC1.
What is the InChIKey of N-[[1-(3,3-dimethyl-2-oxobutyl)piperidin-4-yl]methyl]carbamate?
The InChIKey is MKWPWDCCHCNRQD-UHFFFAOYSA-M. The full InChI is InChI=1S/C13H24N2O3/c1-13(2,3)11(16)9-15-6-4-10(5-7-15)8-14-12(17)18/h10,14H,4-9H2,1-3H3,(H,17,18)/p-1.
What are the key properties of N-[[1-(3,3-dimethyl-2-oxobutyl)piperidin-4-yl]methyl]carbamate?
N-[[1-(3,3-dimethyl-2-oxobutyl)piperidin-4-yl]methyl]carbamate has a molecular weight of 255.34 g/mol, XLogP of 0.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3,3-dimethyl-2-oxobutyl)piperidin-4-yl]methyl]carbamate is sourced from PubChem (CID 22313267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).