methyl 4-methyl-2-(piperidine-3-carbonylamino)pentanoate

C13H24N2O3 — CID 43704259

IUPACmethyl 4-methyl-2-(piperidine-3-carbonylamino)pentanoate
SMILESCOC(=O)C(CC(C)C)NC(=O)C1CCCNC1
InChIInChI=1S/C13H24N2O3/c1-9(2)7-11(13(17)18-3)15-12(16)10-5-4-6-14-8-10/h9-11,14H,4-8H2,1-3H3,(H,15,16)
InChIKeyPQRPAHUJFCSXHA-UHFFFAOYSA-N
MW256.35 g/mol
LogP0.69
Rot. Bonds5

About methyl 4-methyl-2-(piperidine-3-carbonylamino)pentanoate

methyl 4-methyl-2-(piperidine-3-carbonylamino)pentanoate (PubChem CID 43704259) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is methyl 4-methyl-2-(piperidine-3-carbonylamino)pentanoate.

Molecular Properties

Compound Namemethyl 4-methyl-2-(piperidine-3-carbonylamino)pentanoate
PubChem CID43704259
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Namemethyl 4-methyl-2-(piperidine-3-carbonylamino)pentanoate
SMILESCOC(=O)C(CC(C)C)NC(=O)C1CCCNC1
InChIInChI=1S/C13H24N2O3/c1-9(2)7-11(13(17)18-3)15-12(16)10-5-4-6-14-8-10/h9-11,14H,4-8H2,1-3H3,(H,15,16)
InChIKeyPQRPAHUJFCSXHA-UHFFFAOYSA-N
XLogP0.69
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-methyl-2-[(2-methyl-2-piperidin-3-ylpropanoyl)amino]pentanoate
CID 83198704
methyl (2S)-2-[[(3S,4S)-4-[[(2S)-1-methoxy-4-methyl-1-oxopentan-2-yl]carbamoyl]pyrrolidine-3-carbonyl]amino]-4-methylpentanoate
CID 135210896
N-(1-methoxypropan-2-yl)piperidine-3-carboxamide
CID 18073012
(3R)-N-[(2R)-1-aminopropan-2-yl]piperidine-3-carboxamide
CID 130710975
methyl 4-methyl-2-[(4-methylcyclohexanecarbonyl)amino]pentanoate
CID 79005645
4-methoxy-2-[[(3R)-piperidine-3-carbonyl]amino]butanoic acid
CID 81139656
2-(piperidine-3-carbonylamino)butanoic acid
CID 61159662
methyl (2S)-4-methyl-2-[[(2S)-piperidine-2-carbonyl]amino]pentanoate
CID 68798809
(3S)-N-(3-methylbutan-2-yl)piperidine-3-carboxamide
CID 81123470
N-(6-methylheptan-2-yl)piperidine-3-carboxamide;hydrochloride
CID 119262989
methyl (2S)-2-(azepane-2-carbonylamino)-4-methylpentanoate
CID 103954871
N-pentan-2-ylpiperidine-3-carboxamide
CID 18072818

Frequently Asked Questions

What is the IUPAC name of methyl 4-methyl-2-(piperidine-3-carbonylamino)pentanoate?
The IUPAC name of methyl 4-methyl-2-(piperidine-3-carbonylamino)pentanoate (CID 43704259) is methyl 4-methyl-2-(piperidine-3-carbonylamino)pentanoate.
What is the SMILES notation for methyl 4-methyl-2-(piperidine-3-carbonylamino)pentanoate?
The canonical SMILES for methyl 4-methyl-2-(piperidine-3-carbonylamino)pentanoate is COC(=O)C(CC(C)C)NC(=O)C1CCCNC1.
What is the InChIKey of methyl 4-methyl-2-(piperidine-3-carbonylamino)pentanoate?
The InChIKey is PQRPAHUJFCSXHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-9(2)7-11(13(17)18-3)15-12(16)10-5-4-6-14-8-10/h9-11,14H,4-8H2,1-3H3,(H,15,16).
What are the key properties of methyl 4-methyl-2-(piperidine-3-carbonylamino)pentanoate?
methyl 4-methyl-2-(piperidine-3-carbonylamino)pentanoate has a molecular weight of 256.35 g/mol, XLogP of 0.69, 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-(piperidine-3-carbonylamino)pentanoate is sourced from PubChem (CID 43704259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).