methyl 2-[[1-(1-propan-2-ylpiperidin-4-yl)piperidine-3-carbonyl]amino]acetate

C17H31N3O3 — CID 45231549

IUPACmethyl 2-[[1-(1-propan-2-ylpiperidin-4-yl)piperidine-3-carbonyl]amino]acetate
SMILESCOC(=O)CNC(=O)C1CCCN(C2CCN(C(C)C)CC2)C1
InChIInChI=1S/C17H31N3O3/c1-13(2)19-9-6-15(7-10-19)20-8-4-5-14(12-20)17(22)18-11-16(21)23-3/h13-15H,4-12H2,1-3H3,(H,18,22)
InChIKeyZSCXTYLRSFWBLA-UHFFFAOYSA-N
MW325.45 g/mol
LogP0.86
Rot. Bonds5

About methyl 2-[[1-(1-propan-2-ylpiperidin-4-yl)piperidine-3-carbonyl]amino]acetate

methyl 2-[[1-(1-propan-2-ylpiperidin-4-yl)piperidine-3-carbonyl]amino]acetate (PubChem CID 45231549) has the molecular formula C17H31N3O3 and a molecular weight of 325.45 g/mol. Its IUPAC name is methyl 2-[[1-(1-propan-2-ylpiperidin-4-yl)piperidine-3-carbonyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[[1-(1-propan-2-ylpiperidin-4-yl)piperidine-3-carbonyl]amino]acetate
PubChem CID45231549
Molecular FormulaC17H31N3O3
Molecular Weight325.45 g/mol
Exact Mass325.24
IUPAC Namemethyl 2-[[1-(1-propan-2-ylpiperidin-4-yl)piperidine-3-carbonyl]amino]acetate
SMILESCOC(=O)CNC(=O)C1CCCN(C2CCN(C(C)C)CC2)C1
InChIInChI=1S/C17H31N3O3/c1-13(2)19-9-6-15(7-10-19)20-8-4-5-14(12-20)17(22)18-11-16(21)23-3/h13-15H,4-12H2,1-3H3,(H,18,22)
InChIKeyZSCXTYLRSFWBLA-UHFFFAOYSA-N
XLogP0.86
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.45
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[[1-(1-propan-2-ylpiperidin-4-yl)piperidine-3-carbonyl]amino]acetate?
The IUPAC name of methyl 2-[[1-(1-propan-2-ylpiperidin-4-yl)piperidine-3-carbonyl]amino]acetate (CID 45231549) is methyl 2-[[1-(1-propan-2-ylpiperidin-4-yl)piperidine-3-carbonyl]amino]acetate.
What is the SMILES notation for methyl 2-[[1-(1-propan-2-ylpiperidin-4-yl)piperidine-3-carbonyl]amino]acetate?
The canonical SMILES for methyl 2-[[1-(1-propan-2-ylpiperidin-4-yl)piperidine-3-carbonyl]amino]acetate is COC(=O)CNC(=O)C1CCCN(C2CCN(C(C)C)CC2)C1.
What is the InChIKey of methyl 2-[[1-(1-propan-2-ylpiperidin-4-yl)piperidine-3-carbonyl]amino]acetate?
The InChIKey is ZSCXTYLRSFWBLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O3/c1-13(2)19-9-6-15(7-10-19)20-8-4-5-14(12-20)17(22)18-11-16(21)23-3/h13-15H,4-12H2,1-3H3,(H,18,22).
What are the key properties of methyl 2-[[1-(1-propan-2-ylpiperidin-4-yl)piperidine-3-carbonyl]amino]acetate?
methyl 2-[[1-(1-propan-2-ylpiperidin-4-yl)piperidine-3-carbonyl]amino]acetate has a molecular weight of 325.45 g/mol, XLogP of 0.86, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[1-(1-propan-2-ylpiperidin-4-yl)piperidine-3-carbonyl]amino]acetate is sourced from PubChem (CID 45231549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).