methyl 4-(3-methoxypiperidin-1-yl)-2-(propan-2-ylamino)butanoate

C14H28N2O3 — CID 102966487

IUPACmethyl 4-(3-methoxypiperidin-1-yl)-2-(propan-2-ylamino)butanoate
SMILESCOC(=O)C(CCN1CCCC(OC)C1)NC(C)C
InChIInChI=1S/C14H28N2O3/c1-11(2)15-13(14(17)19-4)7-9-16-8-5-6-12(10-16)18-3/h11-13,15H,5-10H2,1-4H3
InChIKeyURPNUOGRBBFKQX-UHFFFAOYSA-N
MW272.39 g/mol
LogP1.03
Rot. Bonds7

About methyl 4-(3-methoxypiperidin-1-yl)-2-(propan-2-ylamino)butanoate

methyl 4-(3-methoxypiperidin-1-yl)-2-(propan-2-ylamino)butanoate (PubChem CID 102966487) has the molecular formula C14H28N2O3 and a molecular weight of 272.39 g/mol. Its IUPAC name is methyl 4-(3-methoxypiperidin-1-yl)-2-(propan-2-ylamino)butanoate.

Molecular Properties

Compound Namemethyl 4-(3-methoxypiperidin-1-yl)-2-(propan-2-ylamino)butanoate
PubChem CID102966487
Molecular FormulaC14H28N2O3
Molecular Weight272.39 g/mol
Exact Mass272.21
IUPAC Namemethyl 4-(3-methoxypiperidin-1-yl)-2-(propan-2-ylamino)butanoate
SMILESCOC(=O)C(CCN1CCCC(OC)C1)NC(C)C
InChIInChI=1S/C14H28N2O3/c1-11(2)15-13(14(17)19-4)7-9-16-8-5-6-12(10-16)18-3/h11-13,15H,5-10H2,1-4H3
InChIKeyURPNUOGRBBFKQX-UHFFFAOYSA-N
XLogP1.03
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 4-(3-methoxypiperidin-1-yl)-2-(propan-2-ylamino)butanoate with MolForge

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Related Compounds

methyl 4-(azocan-1-yl)-2-(propan-2-ylamino)butanoate
CID 63027769
methyl 4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-(propan-2-ylamino)butanoate
CID 115561460
methyl 4-(4-methylpiperazin-1-yl)-2-(propan-2-ylamino)butanoate
CID 55144289
methyl 4-(3-methoxypyrrolidin-1-yl)-2-(propylamino)butanoate
CID 103537953
methyl 2-(ethylamino)-4-(3-propoxypiperidin-1-yl)butanoate
CID 63054326
methyl 4-(2,6-dimethylmorpholin-4-yl)-2-(propan-2-ylamino)butanoate
CID 63029150
methyl 4-(8-azaspiro[4.5]decan-8-yl)-2-(propan-2-ylamino)butanoate
CID 63159718
methyl 4-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-(propan-2-ylamino)butanoate
CID 65324968
4-(3-methoxypiperidin-1-yl)-2-methyl-2-(propan-2-ylamino)butanamide
CID 102966479
4-(3-methoxypiperidin-1-yl)butanehydrazide
CID 102968724
2-amino-4-(3-methoxypyrrolidin-1-yl)butanoic acid
CID 103537951
3-(3-methoxypiperidin-1-yl)-2-(propan-2-ylamino)propan-1-ol
CID 102968981

Frequently Asked Questions

What is the IUPAC name of methyl 4-(3-methoxypiperidin-1-yl)-2-(propan-2-ylamino)butanoate?
The IUPAC name of methyl 4-(3-methoxypiperidin-1-yl)-2-(propan-2-ylamino)butanoate (CID 102966487) is methyl 4-(3-methoxypiperidin-1-yl)-2-(propan-2-ylamino)butanoate.
What is the SMILES notation for methyl 4-(3-methoxypiperidin-1-yl)-2-(propan-2-ylamino)butanoate?
The canonical SMILES for methyl 4-(3-methoxypiperidin-1-yl)-2-(propan-2-ylamino)butanoate is COC(=O)C(CCN1CCCC(OC)C1)NC(C)C.
What is the InChIKey of methyl 4-(3-methoxypiperidin-1-yl)-2-(propan-2-ylamino)butanoate?
The InChIKey is URPNUOGRBBFKQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O3/c1-11(2)15-13(14(17)19-4)7-9-16-8-5-6-12(10-16)18-3/h11-13,15H,5-10H2,1-4H3.
What are the key properties of methyl 4-(3-methoxypiperidin-1-yl)-2-(propan-2-ylamino)butanoate?
methyl 4-(3-methoxypiperidin-1-yl)-2-(propan-2-ylamino)butanoate has a molecular weight of 272.39 g/mol, XLogP of 1.03, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(3-methoxypiperidin-1-yl)-2-(propan-2-ylamino)butanoate is sourced from PubChem (CID 102966487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).