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

C21H29N3O4 — CID 51725856

IUPACethyl (3R)-3-[(1-benzoylpiperidin-4-yl)carbamoyl]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC[C@@H](C(=O)NC2CCN(C(=O)c3ccccc3)CC2)C1
InChIInChI=1S/C21H29N3O4/c1-2-28-21(27)24-12-6-9-17(15-24)19(25)22-18-10-13-23(14-11-18)20(26)16-7-4-3-5-8-16/h3-5,7-8,17-18H,2,6,9-15H2,1H3,(H,22,25)/t17-/m1/s1
InChIKeyZQMDADJVLUTRLV-QGZVFWFLSA-N
MW387.48 g/mol
LogP2.28
Rot. Bonds4

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

ethyl (3R)-3-[(1-benzoylpiperidin-4-yl)carbamoyl]piperidine-1-carboxylate (PubChem CID 51725856) has the molecular formula C21H29N3O4 and a molecular weight of 387.48 g/mol. Its IUPAC name is ethyl (3R)-3-[(1-benzoylpiperidin-4-yl)carbamoyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl (3R)-3-[(1-benzoylpiperidin-4-yl)carbamoyl]piperidine-1-carboxylate
PubChem CID51725856
Molecular FormulaC21H29N3O4
Molecular Weight387.48 g/mol
Exact Mass387.22
IUPAC Nameethyl (3R)-3-[(1-benzoylpiperidin-4-yl)carbamoyl]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC[C@@H](C(=O)NC2CCN(C(=O)c3ccccc3)CC2)C1
InChIInChI=1S/C21H29N3O4/c1-2-28-21(27)24-12-6-9-17(15-24)19(25)22-18-10-13-23(14-11-18)20(26)16-7-4-3-5-8-16/h3-5,7-8,17-18H,2,6,9-15H2,1H3,(H,22,25)/t17-/m1/s1
InChIKeyZQMDADJVLUTRLV-QGZVFWFLSA-N
XLogP2.28
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.48
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-N-(1-benzoylpiperidin-4-yl)-1-propanoylpiperidine-3-carboxamide
CID 52523476
ethyl 3-[[1-(furan-3-carbonyl)piperidin-4-yl]carbamoyl]piperidine-1-carboxylate
CID 43057335
N-(1-benzoylpiperidin-4-yl)cyclopentanecarboxamide
CID 110820191
1-benzoyl-N-(4-hydroxycyclohexyl)piperidine-3-carboxamide
CID 69258968
4-[(1-benzoylpiperidine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 119229696
ethyl (3S)-3-[[(1S,2R)-2-phenylcyclobutyl]carbamoyl]piperidine-1-carboxylate
CID 97100234
N-(1-benzylpiperidin-4-yl)-1-(4-methylbenzoyl)piperidine-3-carboxamide
CID 46404586
ethyl 4-benzamidopiperidine-1-carboxylate
CID 18120666
ethyl 3-[[(2-hydroxybenzoyl)amino]carbamoyl]piperidine-1-carboxylate
CID 43057131
ethyl (3R)-1-(4-benzoylbenzoyl)piperidine-3-carboxylate
CID 30283825
1-benzoyl-N-pyrrolidin-3-ylpiperidine-3-carboxamide;hydrochloride
CID 119453805
ethyl 3-(pyridin-2-ylcarbamoyl)piperidine-1-carboxylate
CID 46578071

Frequently Asked Questions

What is the IUPAC name of ethyl (3R)-3-[(1-benzoylpiperidin-4-yl)carbamoyl]piperidine-1-carboxylate?
The IUPAC name of ethyl (3R)-3-[(1-benzoylpiperidin-4-yl)carbamoyl]piperidine-1-carboxylate (CID 51725856) is ethyl (3R)-3-[(1-benzoylpiperidin-4-yl)carbamoyl]piperidine-1-carboxylate.
What is the SMILES notation for ethyl (3R)-3-[(1-benzoylpiperidin-4-yl)carbamoyl]piperidine-1-carboxylate?
The canonical SMILES for ethyl (3R)-3-[(1-benzoylpiperidin-4-yl)carbamoyl]piperidine-1-carboxylate is CCOC(=O)N1CCC[C@@H](C(=O)NC2CCN(C(=O)c3ccccc3)CC2)C1.
What is the InChIKey of ethyl (3R)-3-[(1-benzoylpiperidin-4-yl)carbamoyl]piperidine-1-carboxylate?
The InChIKey is ZQMDADJVLUTRLV-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H29N3O4/c1-2-28-21(27)24-12-6-9-17(15-24)19(25)22-18-10-13-23(14-11-18)20(26)16-7-4-3-5-8-16/h3-5,7-8,17-18H,2,6,9-15H2,1H3,(H,22,25)/t17-/m1/s1.
What are the key properties of ethyl (3R)-3-[(1-benzoylpiperidin-4-yl)carbamoyl]piperidine-1-carboxylate?
ethyl (3R)-3-[(1-benzoylpiperidin-4-yl)carbamoyl]piperidine-1-carboxylate has a molecular weight of 387.48 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3R)-3-[(1-benzoylpiperidin-4-yl)carbamoyl]piperidine-1-carboxylate is sourced from PubChem (CID 51725856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).