methyl 2-[methyl-[(3S,4S)-3-methyl-4-[(4-methylpiperidin-1-yl)methyl]cyclopentyl]amino]acetate

C17H32N2O2 — CID 59033037

IUPACmethyl 2-[methyl-[(3S,4S)-3-methyl-4-[(4-methylpiperidin-1-yl)methyl]cyclopentyl]amino]acetate
SMILESCOC(=O)CN(C)C1C[C@H](CN2CCC(C)CC2)[C@@H](C)C1
InChIInChI=1S/C17H32N2O2/c1-13-5-7-19(8-6-13)11-15-10-16(9-14(15)2)18(3)12-17(20)21-4/h13-16H,5-12H2,1-4H3/t14-,15+,16?/m0/s1
InChIKeyZNPSSUVXYMSCKJ-QMRHZFGWSA-N
MW296.45 g/mol
LogP2.24
Rot. Bonds5

About methyl 2-[methyl-[(3S,4S)-3-methyl-4-[(4-methylpiperidin-1-yl)methyl]cyclopentyl]amino]acetate

methyl 2-[methyl-[(3S,4S)-3-methyl-4-[(4-methylpiperidin-1-yl)methyl]cyclopentyl]amino]acetate (PubChem CID 59033037) has the molecular formula C17H32N2O2 and a molecular weight of 296.45 g/mol. Its IUPAC name is methyl 2-[methyl-[(3S,4S)-3-methyl-4-[(4-methylpiperidin-1-yl)methyl]cyclopentyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[methyl-[(3S,4S)-3-methyl-4-[(4-methylpiperidin-1-yl)methyl]cyclopentyl]amino]acetate
PubChem CID59033037
Molecular FormulaC17H32N2O2
Molecular Weight296.45 g/mol
Exact Mass296.25
IUPAC Namemethyl 2-[methyl-[(3S,4S)-3-methyl-4-[(4-methylpiperidin-1-yl)methyl]cyclopentyl]amino]acetate
SMILESCOC(=O)CN(C)C1C[C@H](CN2CCC(C)CC2)[C@@H](C)C1
InChIInChI=1S/C17H32N2O2/c1-13-5-7-19(8-6-13)11-15-10-16(9-14(15)2)18(3)12-17(20)21-4/h13-16H,5-12H2,1-4H3/t14-,15+,16?/m0/s1
InChIKeyZNPSSUVXYMSCKJ-QMRHZFGWSA-N
XLogP2.24
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.45
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[methyl-[(3S,4S)-3-methyl-4-[(4-methylpiperidin-1-yl)methyl]cyclopentyl]amino]acetate?
The IUPAC name of methyl 2-[methyl-[(3S,4S)-3-methyl-4-[(4-methylpiperidin-1-yl)methyl]cyclopentyl]amino]acetate (CID 59033037) is methyl 2-[methyl-[(3S,4S)-3-methyl-4-[(4-methylpiperidin-1-yl)methyl]cyclopentyl]amino]acetate.
What is the SMILES notation for methyl 2-[methyl-[(3S,4S)-3-methyl-4-[(4-methylpiperidin-1-yl)methyl]cyclopentyl]amino]acetate?
The canonical SMILES for methyl 2-[methyl-[(3S,4S)-3-methyl-4-[(4-methylpiperidin-1-yl)methyl]cyclopentyl]amino]acetate is COC(=O)CN(C)C1C[C@H](CN2CCC(C)CC2)[C@@H](C)C1.
What is the InChIKey of methyl 2-[methyl-[(3S,4S)-3-methyl-4-[(4-methylpiperidin-1-yl)methyl]cyclopentyl]amino]acetate?
The InChIKey is ZNPSSUVXYMSCKJ-QMRHZFGWSA-N. The full InChI is InChI=1S/C17H32N2O2/c1-13-5-7-19(8-6-13)11-15-10-16(9-14(15)2)18(3)12-17(20)21-4/h13-16H,5-12H2,1-4H3/t14-,15+,16?/m0/s1.
What are the key properties of methyl 2-[methyl-[(3S,4S)-3-methyl-4-[(4-methylpiperidin-1-yl)methyl]cyclopentyl]amino]acetate?
methyl 2-[methyl-[(3S,4S)-3-methyl-4-[(4-methylpiperidin-1-yl)methyl]cyclopentyl]amino]acetate has a molecular weight of 296.45 g/mol, XLogP of 2.24, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[methyl-[(3S,4S)-3-methyl-4-[(4-methylpiperidin-1-yl)methyl]cyclopentyl]amino]acetate is sourced from PubChem (CID 59033037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).