[1-(3,3-dimethyl-2-oxobutyl)piperidin-4-yl]methylcarbamic acid

C13H24N2O3 — CID 22313268

IUPAC[1-(3,3-dimethyl-2-oxobutyl)piperidin-4-yl]methylcarbamic acid
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)
InChIKeyMKWPWDCCHCNRQD-UHFFFAOYSA-N
MW256.35 g/mol
LogP1.58
Rot. Bonds4

About [1-(3,3-dimethyl-2-oxobutyl)piperidin-4-yl]methylcarbamic acid

[1-(3,3-dimethyl-2-oxobutyl)piperidin-4-yl]methylcarbamic acid (PubChem CID 22313268) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is [1-(3,3-dimethyl-2-oxobutyl)piperidin-4-yl]methylcarbamic acid.

Molecular Properties

Compound Name[1-(3,3-dimethyl-2-oxobutyl)piperidin-4-yl]methylcarbamic acid
PubChem CID22313268
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name[1-(3,3-dimethyl-2-oxobutyl)piperidin-4-yl]methylcarbamic acid
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)
InChIKeyMKWPWDCCHCNRQD-UHFFFAOYSA-N
XLogP1.58
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(Methylamino)-2-oxoethyl]-(piperidin-4-ylmethyl)carbamic acid
CID 68462641
4-[(2-Oxopropylamino)methyl]piperidine-1-carboxylic acid
CID 68804938
4-[(Propanoylamino)methyl]piperidine-1-carboxylic acid
CID 69263148
4-[2-(2,2-Dimethylpropanoylamino)ethyl]piperidine-1-carboxylic acid
CID 90391020
2-(1-Acetylpiperidin-4-yl)ethylcarbamic acid
CID 118540720
[(2S)-1-[4-(1-aminoethyl)piperidin-1-yl]-1-oxopropan-2-yl]carbamic acid
CID 118946431
[1-[4-(1-Aminoethyl)piperidin-1-yl]-1-oxopropan-2-yl]carbamic acid
CID 132210911
[1-(2-Amino-2-oxoethyl)piperidin-4-yl]methylcarbamic acid
CID 156493861
(1-Acetylpiperidin-4-yl)methylcarbamic acid
CID 156534334
N-[[1-(3,3-dimethyl-2-oxobutyl)piperidin-4-yl]methyl]carbamate
CID 22313267
1-(3,3-dimethyl-2-oxobutyl)-N-methylpiperidine-4-carboxamide
CID 62037527
2-[(4-Methylpiperidine-4-carbonyl)-(2-methylpropyl)amino]acetic acid
CID 63122976

Frequently Asked Questions

What is the IUPAC name of [1-(3,3-dimethyl-2-oxobutyl)piperidin-4-yl]methylcarbamic acid?
The IUPAC name of [1-(3,3-dimethyl-2-oxobutyl)piperidin-4-yl]methylcarbamic acid (CID 22313268) is [1-(3,3-dimethyl-2-oxobutyl)piperidin-4-yl]methylcarbamic acid.
What is the SMILES notation for [1-(3,3-dimethyl-2-oxobutyl)piperidin-4-yl]methylcarbamic acid?
The canonical SMILES for [1-(3,3-dimethyl-2-oxobutyl)piperidin-4-yl]methylcarbamic acid is CC(C)(C)C(=O)CN1CCC(CNC(=O)O)CC1.
What is the InChIKey of [1-(3,3-dimethyl-2-oxobutyl)piperidin-4-yl]methylcarbamic acid?
The InChIKey is MKWPWDCCHCNRQD-UHFFFAOYSA-N. 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).
What are the key properties of [1-(3,3-dimethyl-2-oxobutyl)piperidin-4-yl]methylcarbamic acid?
[1-(3,3-dimethyl-2-oxobutyl)piperidin-4-yl]methylcarbamic acid has a molecular weight of 256.35 g/mol, XLogP of 1.58, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3,3-dimethyl-2-oxobutyl)piperidin-4-yl]methylcarbamic acid is sourced from PubChem (CID 22313268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).