methyl 4-methyl-2-(piperidin-4-ylamino)pentanoate

C12H24N2O2 — CID 61016873

IUPACmethyl 4-methyl-2-(piperidin-4-ylamino)pentanoate
SMILESCOC(=O)C(CC(C)C)NC1CCNCC1
InChIInChI=1S/C12H24N2O2/c1-9(2)8-11(12(15)16-3)14-10-4-6-13-7-5-10/h9-11,13-14H,4-8H2,1-3H3
InChIKeySHMDHAQCPJRHOD-UHFFFAOYSA-N
MW228.34 g/mol
LogP0.92
Rot. Bonds5

About methyl 4-methyl-2-(piperidin-4-ylamino)pentanoate

methyl 4-methyl-2-(piperidin-4-ylamino)pentanoate (PubChem CID 61016873) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is methyl 4-methyl-2-(piperidin-4-ylamino)pentanoate.

Molecular Properties

Compound Namemethyl 4-methyl-2-(piperidin-4-ylamino)pentanoate
PubChem CID61016873
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Namemethyl 4-methyl-2-(piperidin-4-ylamino)pentanoate
SMILESCOC(=O)C(CC(C)C)NC1CCNCC1
InChIInChI=1S/C12H24N2O2/c1-9(2)8-11(12(15)16-3)14-10-4-6-13-7-5-10/h9-11,13-14H,4-8H2,1-3H3
InChIKeySHMDHAQCPJRHOD-UHFFFAOYSA-N
XLogP0.92
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[(4-aminocyclohexyl)amino]-4-methylpentanoate
CID 79724266
methyl 2-[(4-ethylcyclohexyl)amino]-4-methylpentanoate
CID 43688945
methyl 4-methyl-2-[(4-propan-2-ylcycloheptyl)amino]pentanoate
CID 65086959
methyl 4-methyl-2-[(1-propan-2-ylpiperidin-4-yl)amino]pentanoate
CID 43688946
cyclopentyl (2R)-4-methyl-2-(pyrrolidin-3-ylamino)pentanoate;dihydrochloride
CID 89497653
methyl 4-methyl-2-[(2-piperidin-4-ylsulfanylacetyl)amino]pentanoate
CID 114626748
methyl (2S)-2-(azepan-4-ylamino)propanoate
CID 103981308
methyl 4-methyl-2-(2,3,4,5-tetrahydro-1H-2-benzazepin-5-ylamino)pentanoate
CID 103981137
methyl 4-methyl-2-[(2-methylcyclopentyl)amino]pentanoate
CID 65044317
methyl 2-(cyclopropylamino)-4-methoxy-4-methylpentanoate
CID 106675932
methyl 4-methyl-2-(piperidine-3-carbonylamino)pentanoate
CID 43704259
methyl (2S)-2-[[(3S,4S)-4-[[(2S)-1-methoxy-4-methyl-1-oxopentan-2-yl]carbamoyl]pyrrolidine-3-carbonyl]amino]-4-methylpentanoate
CID 135210896

Frequently Asked Questions

What is the IUPAC name of methyl 4-methyl-2-(piperidin-4-ylamino)pentanoate?
The IUPAC name of methyl 4-methyl-2-(piperidin-4-ylamino)pentanoate (CID 61016873) is methyl 4-methyl-2-(piperidin-4-ylamino)pentanoate.
What is the SMILES notation for methyl 4-methyl-2-(piperidin-4-ylamino)pentanoate?
The canonical SMILES for methyl 4-methyl-2-(piperidin-4-ylamino)pentanoate is COC(=O)C(CC(C)C)NC1CCNCC1.
What is the InChIKey of methyl 4-methyl-2-(piperidin-4-ylamino)pentanoate?
The InChIKey is SHMDHAQCPJRHOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-9(2)8-11(12(15)16-3)14-10-4-6-13-7-5-10/h9-11,13-14H,4-8H2,1-3H3.
What are the key properties of methyl 4-methyl-2-(piperidin-4-ylamino)pentanoate?
methyl 4-methyl-2-(piperidin-4-ylamino)pentanoate has a molecular weight of 228.34 g/mol, XLogP of 0.92, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methyl-2-(piperidin-4-ylamino)pentanoate is sourced from PubChem (CID 61016873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).