ethyl 2-[1-benzyl-4-(benzylamino)piperidin-4-yl]acetate

C23H30N2O2 — CID 22360002

IUPACethyl 2-[1-benzyl-4-(benzylamino)piperidin-4-yl]acetate
SMILESCCOC(=O)CC1(NCc2ccccc2)CCN(Cc2ccccc2)CC1
InChIInChI=1S/C23H30N2O2/c1-2-27-22(26)17-23(24-18-20-9-5-3-6-10-20)13-15-25(16-14-23)19-21-11-7-4-8-12-21/h3-12,24H,2,13-19H2,1H3
InChIKeyIMOGCGRWYHXPCZ-UHFFFAOYSA-N
MW366.51 g/mol
LogP3.76
Rot. Bonds8

About ethyl 2-[1-benzyl-4-(benzylamino)piperidin-4-yl]acetate

ethyl 2-[1-benzyl-4-(benzylamino)piperidin-4-yl]acetate (PubChem CID 22360002) has the molecular formula C23H30N2O2 and a molecular weight of 366.51 g/mol. Its IUPAC name is ethyl 2-[1-benzyl-4-(benzylamino)piperidin-4-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[1-benzyl-4-(benzylamino)piperidin-4-yl]acetate
PubChem CID22360002
Molecular FormulaC23H30N2O2
Molecular Weight366.51 g/mol
Exact Mass366.23
IUPAC Nameethyl 2-[1-benzyl-4-(benzylamino)piperidin-4-yl]acetate
SMILESCCOC(=O)CC1(NCc2ccccc2)CCN(Cc2ccccc2)CC1
InChIInChI=1S/C23H30N2O2/c1-2-27-22(26)17-23(24-18-20-9-5-3-6-10-20)13-15-25(16-14-23)19-21-11-7-4-8-12-21/h3-12,24H,2,13-19H2,1H3
InChIKeyIMOGCGRWYHXPCZ-UHFFFAOYSA-N
XLogP3.76
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[1-benzyl-4-(benzylamino)piperidin-4-yl]acetate?
The IUPAC name of ethyl 2-[1-benzyl-4-(benzylamino)piperidin-4-yl]acetate (CID 22360002) is ethyl 2-[1-benzyl-4-(benzylamino)piperidin-4-yl]acetate.
What is the SMILES notation for ethyl 2-[1-benzyl-4-(benzylamino)piperidin-4-yl]acetate?
The canonical SMILES for ethyl 2-[1-benzyl-4-(benzylamino)piperidin-4-yl]acetate is CCOC(=O)CC1(NCc2ccccc2)CCN(Cc2ccccc2)CC1.
What is the InChIKey of ethyl 2-[1-benzyl-4-(benzylamino)piperidin-4-yl]acetate?
The InChIKey is IMOGCGRWYHXPCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O2/c1-2-27-22(26)17-23(24-18-20-9-5-3-6-10-20)13-15-25(16-14-23)19-21-11-7-4-8-12-21/h3-12,24H,2,13-19H2,1H3.
What are the key properties of ethyl 2-[1-benzyl-4-(benzylamino)piperidin-4-yl]acetate?
ethyl 2-[1-benzyl-4-(benzylamino)piperidin-4-yl]acetate has a molecular weight of 366.51 g/mol, XLogP of 3.76, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[1-benzyl-4-(benzylamino)piperidin-4-yl]acetate is sourced from PubChem (CID 22360002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).