ethyl 2-[1-acetyl-5-(benzylamino)piperidin-3-yl]acetate

C18H26N2O3 — CID 83993679

IUPACethyl 2-[1-acetyl-5-(benzylamino)piperidin-3-yl]acetate
SMILESCCOC(=O)CC1CC(NCc2ccccc2)CN(C(C)=O)C1
InChIInChI=1S/C18H26N2O3/c1-3-23-18(22)10-16-9-17(13-20(12-16)14(2)21)19-11-15-7-5-4-6-8-15/h4-8,16-17,19H,3,9-13H2,1-2H3
InChIKeyGKBYNHNMQIHUHK-UHFFFAOYSA-N
MW318.42 g/mol
LogP1.97
Rot. Bonds6

About ethyl 2-[1-acetyl-5-(benzylamino)piperidin-3-yl]acetate

ethyl 2-[1-acetyl-5-(benzylamino)piperidin-3-yl]acetate (PubChem CID 83993679) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is ethyl 2-[1-acetyl-5-(benzylamino)piperidin-3-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[1-acetyl-5-(benzylamino)piperidin-3-yl]acetate
PubChem CID83993679
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC Nameethyl 2-[1-acetyl-5-(benzylamino)piperidin-3-yl]acetate
SMILESCCOC(=O)CC1CC(NCc2ccccc2)CN(C(C)=O)C1
InChIInChI=1S/C18H26N2O3/c1-3-23-18(22)10-16-9-17(13-20(12-16)14(2)21)19-11-15-7-5-4-6-8-15/h4-8,16-17,19H,3,9-13H2,1-2H3
InChIKeyGKBYNHNMQIHUHK-UHFFFAOYSA-N
XLogP1.97
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[5-(benzylamino)-1-ethylpiperidin-3-yl]acetate
CID 83993494
1-[3-(benzylamino)-5-(2,2,2-trifluoroethyl)piperidin-1-yl]ethanone
CID 83993688
2-[5-(benzylamino)-1-butanoylpiperidin-3-yl]acetic acid
CID 83993716
methyl 2-[5-(benzylamino)-1-propylpiperidin-3-yl]acetate
CID 83993524
3-(benzylamino)-5-propylpiperidine-1-carboxamide
CID 83993642
ethyl 3-(benzylamino)-5-propan-2-ylpiperidine-1-carboxylate
CID 83993632
1-[3-(benzylamino)-5-propylpiperidin-1-yl]-2-methylpropan-1-one
CID 83993753
1-[3-(benzylamino)-5-(3-hydroxypropyl)piperidin-1-yl]butan-1-one
CID 83993717
ethyl 2-[1-methyl-5-(phenylmethoxycarbonylamino)piperidin-3-yl]acetate
CID 112544906
1-[3-(benzylamino)piperidin-1-yl]ethanone
CID 83993665
2-[5-(benzylamino)-1-butan-2-ylpiperidin-3-yl]acetic acid
CID 83993816
1-[3-(benzylamino)-5-(1-hydroxyethyl)piperidin-1-yl]propan-1-one
CID 83993705

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[1-acetyl-5-(benzylamino)piperidin-3-yl]acetate?
The IUPAC name of ethyl 2-[1-acetyl-5-(benzylamino)piperidin-3-yl]acetate (CID 83993679) is ethyl 2-[1-acetyl-5-(benzylamino)piperidin-3-yl]acetate.
What is the SMILES notation for ethyl 2-[1-acetyl-5-(benzylamino)piperidin-3-yl]acetate?
The canonical SMILES for ethyl 2-[1-acetyl-5-(benzylamino)piperidin-3-yl]acetate is CCOC(=O)CC1CC(NCc2ccccc2)CN(C(C)=O)C1.
What is the InChIKey of ethyl 2-[1-acetyl-5-(benzylamino)piperidin-3-yl]acetate?
The InChIKey is GKBYNHNMQIHUHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3/c1-3-23-18(22)10-16-9-17(13-20(12-16)14(2)21)19-11-15-7-5-4-6-8-15/h4-8,16-17,19H,3,9-13H2,1-2H3.
What are the key properties of ethyl 2-[1-acetyl-5-(benzylamino)piperidin-3-yl]acetate?
ethyl 2-[1-acetyl-5-(benzylamino)piperidin-3-yl]acetate has a molecular weight of 318.42 g/mol, XLogP of 1.97, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[1-acetyl-5-(benzylamino)piperidin-3-yl]acetate is sourced from PubChem (CID 83993679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).