ethyl 4-[(3R)-3-benzamidopiperidin-1-yl]piperidine-1-carboxylate

C20H29N3O3 — CID 46872059

IUPACethyl 4-[(3R)-3-benzamidopiperidin-1-yl]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(N2CCC[C@@H](NC(=O)c3ccccc3)C2)CC1
InChIInChI=1S/C20H29N3O3/c1-2-26-20(25)22-13-10-18(11-14-22)23-12-6-9-17(15-23)21-19(24)16-7-4-3-5-8-16/h3-5,7-8,17-18H,2,6,9-15H2,1H3,(H,21,24)/t17-/m1/s1
InChIKeyQSCSYOXKKXOUTB-QGZVFWFLSA-N
MW359.47 g/mol
LogP2.50
Rot. Bonds4

About ethyl 4-[(3R)-3-benzamidopiperidin-1-yl]piperidine-1-carboxylate

ethyl 4-[(3R)-3-benzamidopiperidin-1-yl]piperidine-1-carboxylate (PubChem CID 46872059) has the molecular formula C20H29N3O3 and a molecular weight of 359.47 g/mol. Its IUPAC name is ethyl 4-[(3R)-3-benzamidopiperidin-1-yl]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[(3R)-3-benzamidopiperidin-1-yl]piperidine-1-carboxylate
PubChem CID46872059
Molecular FormulaC20H29N3O3
Molecular Weight359.47 g/mol
Exact Mass359.22
IUPAC Nameethyl 4-[(3R)-3-benzamidopiperidin-1-yl]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(N2CCC[C@@H](NC(=O)c3ccccc3)C2)CC1
InChIInChI=1S/C20H29N3O3/c1-2-26-20(25)22-13-10-18(11-14-22)23-12-6-9-17(15-23)21-19(24)16-7-4-3-5-8-16/h3-5,7-8,17-18H,2,6,9-15H2,1H3,(H,21,24)/t17-/m1/s1
InChIKeyQSCSYOXKKXOUTB-QGZVFWFLSA-N
XLogP2.50
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(3R)-3-benzamidopiperidin-1-yl]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[(3R)-3-benzamidopiperidin-1-yl]piperidine-1-carboxylate (CID 46872059) is ethyl 4-[(3R)-3-benzamidopiperidin-1-yl]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[(3R)-3-benzamidopiperidin-1-yl]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[(3R)-3-benzamidopiperidin-1-yl]piperidine-1-carboxylate is CCOC(=O)N1CCC(N2CCC[C@@H](NC(=O)c3ccccc3)C2)CC1.
What is the InChIKey of ethyl 4-[(3R)-3-benzamidopiperidin-1-yl]piperidine-1-carboxylate?
The InChIKey is QSCSYOXKKXOUTB-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H29N3O3/c1-2-26-20(25)22-13-10-18(11-14-22)23-12-6-9-17(15-23)21-19(24)16-7-4-3-5-8-16/h3-5,7-8,17-18H,2,6,9-15H2,1H3,(H,21,24)/t17-/m1/s1.
What are the key properties of ethyl 4-[(3R)-3-benzamidopiperidin-1-yl]piperidine-1-carboxylate?
ethyl 4-[(3R)-3-benzamidopiperidin-1-yl]piperidine-1-carboxylate has a molecular weight of 359.47 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(3R)-3-benzamidopiperidin-1-yl]piperidine-1-carboxylate is sourced from PubChem (CID 46872059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).