methyl 4-methyl-2-[(1-propan-2-ylpiperidin-4-yl)amino]pentanoate

C15H30N2O2 — CID 43688946

IUPACmethyl 4-methyl-2-[(1-propan-2-ylpiperidin-4-yl)amino]pentanoate
SMILESCOC(=O)C(CC(C)C)NC1CCN(C(C)C)CC1
InChIInChI=1S/C15H30N2O2/c1-11(2)10-14(15(18)19-5)16-13-6-8-17(9-7-13)12(3)4/h11-14,16H,6-10H2,1-5H3
InChIKeyKWWVDEIVXBBPGR-UHFFFAOYSA-N
MW270.42 g/mol
LogP2.04
Rot. Bonds6

About methyl 4-methyl-2-[(1-propan-2-ylpiperidin-4-yl)amino]pentanoate

methyl 4-methyl-2-[(1-propan-2-ylpiperidin-4-yl)amino]pentanoate (PubChem CID 43688946) has the molecular formula C15H30N2O2 and a molecular weight of 270.42 g/mol. Its IUPAC name is methyl 4-methyl-2-[(1-propan-2-ylpiperidin-4-yl)amino]pentanoate.

Molecular Properties

Compound Namemethyl 4-methyl-2-[(1-propan-2-ylpiperidin-4-yl)amino]pentanoate
PubChem CID43688946
Molecular FormulaC15H30N2O2
Molecular Weight270.42 g/mol
Exact Mass270.23
IUPAC Namemethyl 4-methyl-2-[(1-propan-2-ylpiperidin-4-yl)amino]pentanoate
SMILESCOC(=O)C(CC(C)C)NC1CCN(C(C)C)CC1
InChIInChI=1S/C15H30N2O2/c1-11(2)10-14(15(18)19-5)16-13-6-8-17(9-7-13)12(3)4/h11-14,16H,6-10H2,1-5H3
InChIKeyKWWVDEIVXBBPGR-UHFFFAOYSA-N
XLogP2.04
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 4-methyl-2-[(1-propan-2-ylpiperidin-4-yl)amino]pentanoate with MolForge

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Related Compounds

methyl 2-[(4-aminocyclohexyl)amino]-4-methylpentanoate
CID 79724266
methyl 4-methyl-2-(piperidin-4-ylamino)pentanoate
CID 61016873
methyl 2-[(4-ethylcyclohexyl)amino]-4-methylpentanoate
CID 43688945
methyl 4-methyl-2-[(4-propan-2-ylcycloheptyl)amino]pentanoate
CID 65086959
N-(4-methylpentan-2-yl)-1-propan-2-ylpiperidin-4-amine
CID 43206641
3-[(1-propan-2-ylpiperidin-4-yl)amino]butanamide
CID 115572761
methyl (2S)-2-[[1-[(1S)-1-phenylethyl]piperidin-4-yl]amino]butanoate
CID 124625205
methyl 4-methyl-2-[(2-methylcyclopentyl)amino]pentanoate
CID 65044317
2-(cyclopropylamino)-4-(4-propan-2-ylpiperazin-1-yl)butanamide
CID 63055622
N-methyl-2-[(1-propan-2-ylpiperidin-4-yl)amino]propanamide
CID 60677160
1-[4-[(1-propan-2-ylpiperidin-4-yl)amino]piperidin-1-yl]ethanone
CID 43223565
methyl 3-(8-azaspiro[4.5]decan-8-yl)-2-(cyclopropylamino)propanoate
CID 63160319

Frequently Asked Questions

What is the IUPAC name of methyl 4-methyl-2-[(1-propan-2-ylpiperidin-4-yl)amino]pentanoate?
The IUPAC name of methyl 4-methyl-2-[(1-propan-2-ylpiperidin-4-yl)amino]pentanoate (CID 43688946) is methyl 4-methyl-2-[(1-propan-2-ylpiperidin-4-yl)amino]pentanoate.
What is the SMILES notation for methyl 4-methyl-2-[(1-propan-2-ylpiperidin-4-yl)amino]pentanoate?
The canonical SMILES for methyl 4-methyl-2-[(1-propan-2-ylpiperidin-4-yl)amino]pentanoate is COC(=O)C(CC(C)C)NC1CCN(C(C)C)CC1.
What is the InChIKey of methyl 4-methyl-2-[(1-propan-2-ylpiperidin-4-yl)amino]pentanoate?
The InChIKey is KWWVDEIVXBBPGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O2/c1-11(2)10-14(15(18)19-5)16-13-6-8-17(9-7-13)12(3)4/h11-14,16H,6-10H2,1-5H3.
What are the key properties of methyl 4-methyl-2-[(1-propan-2-ylpiperidin-4-yl)amino]pentanoate?
methyl 4-methyl-2-[(1-propan-2-ylpiperidin-4-yl)amino]pentanoate has a molecular weight of 270.42 g/mol, XLogP of 2.04, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methyl-2-[(1-propan-2-ylpiperidin-4-yl)amino]pentanoate is sourced from PubChem (CID 43688946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).