methyl 2-[1-[2-(aminomethyl)-4,4-dimethylpentanoyl]piperidin-2-yl]acetate

C16H30N2O3 — CID 107471714

IUPACmethyl 2-[1-[2-(aminomethyl)-4,4-dimethylpentanoyl]piperidin-2-yl]acetate
SMILESCOC(=O)CC1CCCCN1C(=O)C(CN)CC(C)(C)C
InChIInChI=1S/C16H30N2O3/c1-16(2,3)10-12(11-17)15(20)18-8-6-5-7-13(18)9-14(19)21-4/h12-13H,5-11,17H2,1-4H3
InChIKeyMRKRPNNSMKPDET-UHFFFAOYSA-N
MW298.43 g/mol
LogP1.94
Rot. Bonds5

About methyl 2-[1-[2-(aminomethyl)-4,4-dimethylpentanoyl]piperidin-2-yl]acetate

methyl 2-[1-[2-(aminomethyl)-4,4-dimethylpentanoyl]piperidin-2-yl]acetate (PubChem CID 107471714) has the molecular formula C16H30N2O3 and a molecular weight of 298.43 g/mol. Its IUPAC name is methyl 2-[1-[2-(aminomethyl)-4,4-dimethylpentanoyl]piperidin-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[1-[2-(aminomethyl)-4,4-dimethylpentanoyl]piperidin-2-yl]acetate
PubChem CID107471714
Molecular FormulaC16H30N2O3
Molecular Weight298.43 g/mol
Exact Mass298.23
IUPAC Namemethyl 2-[1-[2-(aminomethyl)-4,4-dimethylpentanoyl]piperidin-2-yl]acetate
SMILESCOC(=O)CC1CCCCN1C(=O)C(CN)CC(C)(C)C
InChIInChI=1S/C16H30N2O3/c1-16(2,3)10-12(11-17)15(20)18-8-6-5-7-13(18)9-14(19)21-4/h12-13H,5-11,17H2,1-4H3
InChIKeyMRKRPNNSMKPDET-UHFFFAOYSA-N
XLogP1.94
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[1-[(2S)-2-amino-3,3-dimethylbutanoyl]piperidin-2-yl]acetate
CID 61157077
methyl 2-[1-(2-aminobutanoyl)piperidin-2-yl]acetate
CID 54916660
methyl 2-[1-[(2S)-2-amino-4-methylpentanoyl]piperidin-2-yl]acetate
CID 61156720
methyl 2-[1-(3-amino-2,2-dimethylpropanoyl)piperidin-2-yl]acetate
CID 115426493
(2S)-1-[2-(aminomethyl)-4,4-dimethylpentanoyl]piperidine-2-carboxylic acid
CID 107472356
methyl 2-[1-[2-(carbamoylamino)-3-methylbutanoyl]piperidin-2-yl]acetate
CID 61009967
2-(aminomethyl)-4,4-dimethyl-1-pyrrolidin-1-ylpentan-1-one
CID 107470882
2-(aminomethyl)-1-(2-cyclohexylpyrrolidin-1-yl)-4,4-dimethylpentan-1-one
CID 107471603
methyl 2-[2-(2-methoxy-2-oxoethyl)piperidin-1-yl]-2-oxoacetate
CID 20713862
methyl 2-[1-(dimethylcarbamoyl)piperidin-2-yl]acetate
CID 79154755
methyl 2-[1-(ethylcarbamoyl)piperidin-2-yl]acetate
CID 61010980
methyl 2-[1-(5-aminohexanoyl)piperidin-2-yl]acetate
CID 82852684

Frequently Asked Questions

What is the IUPAC name of methyl 2-[1-[2-(aminomethyl)-4,4-dimethylpentanoyl]piperidin-2-yl]acetate?
The IUPAC name of methyl 2-[1-[2-(aminomethyl)-4,4-dimethylpentanoyl]piperidin-2-yl]acetate (CID 107471714) is methyl 2-[1-[2-(aminomethyl)-4,4-dimethylpentanoyl]piperidin-2-yl]acetate.
What is the SMILES notation for methyl 2-[1-[2-(aminomethyl)-4,4-dimethylpentanoyl]piperidin-2-yl]acetate?
The canonical SMILES for methyl 2-[1-[2-(aminomethyl)-4,4-dimethylpentanoyl]piperidin-2-yl]acetate is COC(=O)CC1CCCCN1C(=O)C(CN)CC(C)(C)C.
What is the InChIKey of methyl 2-[1-[2-(aminomethyl)-4,4-dimethylpentanoyl]piperidin-2-yl]acetate?
The InChIKey is MRKRPNNSMKPDET-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O3/c1-16(2,3)10-12(11-17)15(20)18-8-6-5-7-13(18)9-14(19)21-4/h12-13H,5-11,17H2,1-4H3.
What are the key properties of methyl 2-[1-[2-(aminomethyl)-4,4-dimethylpentanoyl]piperidin-2-yl]acetate?
methyl 2-[1-[2-(aminomethyl)-4,4-dimethylpentanoyl]piperidin-2-yl]acetate has a molecular weight of 298.43 g/mol, XLogP of 1.94, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[1-[2-(aminomethyl)-4,4-dimethylpentanoyl]piperidin-2-yl]acetate is sourced from PubChem (CID 107471714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).