ethyl 1-[(4-propan-2-ylphenyl)carbamoyl]piperidine-3-carboxylate

C18H26N2O3 — CID 42695560

IUPACethyl 1-[(4-propan-2-ylphenyl)carbamoyl]piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(C(=O)Nc2ccc(C(C)C)cc2)C1
InChIInChI=1S/C18H26N2O3/c1-4-23-17(21)15-6-5-11-20(12-15)18(22)19-16-9-7-14(8-10-16)13(2)3/h7-10,13,15H,4-6,11-12H2,1-3H3,(H,19,22)
InChIKeyOBHGLEDGKAWUTM-UHFFFAOYSA-N
MW318.42 g/mol
LogP3.62
Rot. Bonds4

About ethyl 1-[(4-propan-2-ylphenyl)carbamoyl]piperidine-3-carboxylate

ethyl 1-[(4-propan-2-ylphenyl)carbamoyl]piperidine-3-carboxylate (PubChem CID 42695560) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is ethyl 1-[(4-propan-2-ylphenyl)carbamoyl]piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-[(4-propan-2-ylphenyl)carbamoyl]piperidine-3-carboxylate
PubChem CID42695560
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC Nameethyl 1-[(4-propan-2-ylphenyl)carbamoyl]piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(C(=O)Nc2ccc(C(C)C)cc2)C1
InChIInChI=1S/C18H26N2O3/c1-4-23-17(21)15-6-5-11-20(12-15)18(22)19-16-9-7-14(8-10-16)13(2)3/h7-10,13,15H,4-6,11-12H2,1-3H3,(H,19,22)
InChIKeyOBHGLEDGKAWUTM-UHFFFAOYSA-N
XLogP3.62
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl (3R)-1-(4-propan-2-ylbenzoyl)piperidine-3-carboxylate
CID 2385973
ethyl 1-[(3-chloro-4-methylphenyl)carbamoyl]piperidine-3-carboxylate
CID 3261941
ethyl 1-[1-(4-propan-2-ylphenoxy)ethylcarbamoyl]piperidine-3-carboxylate
CID 108880611
ethyl 1-[(4-nitrophenyl)carbamoyl]piperidine-3-carboxylate
CID 46513780
ethyl 1-[(3-fluoro-4-methylphenyl)carbamoyl]piperidine-3-carboxylate
CID 3860710
ethyl 1-[(4-butoxycarbonylphenyl)carbamoyl]piperidine-3-carboxylate
CID 3803670
ethyl (3S)-1-[(3-ethylphenyl)carbamoyl]piperidine-3-carboxylate
CID 51664598
ethyl 1-[(3-fluorophenyl)carbamoyl]piperidine-3-carboxylate
CID 44759797
ethyl (3R)-1-[(3-chloro-2-methylphenyl)carbamoyl]piperidine-3-carboxylate
CID 51944275
ethyl 1-[[3,5-bis(trifluoromethyl)phenyl]carbamoyl]piperidine-3-carboxylate
CID 3792100
ethyl 1-[4-(2-ethylbutanoylamino)benzoyl]piperidine-3-carboxylate
CID 17309221
methyl (3S)-1-[(4-chlorophenyl)carbamoyl]piperidine-3-carboxylate
CID 79039467

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[(4-propan-2-ylphenyl)carbamoyl]piperidine-3-carboxylate?
The IUPAC name of ethyl 1-[(4-propan-2-ylphenyl)carbamoyl]piperidine-3-carboxylate (CID 42695560) is ethyl 1-[(4-propan-2-ylphenyl)carbamoyl]piperidine-3-carboxylate.
What is the SMILES notation for ethyl 1-[(4-propan-2-ylphenyl)carbamoyl]piperidine-3-carboxylate?
The canonical SMILES for ethyl 1-[(4-propan-2-ylphenyl)carbamoyl]piperidine-3-carboxylate is CCOC(=O)C1CCCN(C(=O)Nc2ccc(C(C)C)cc2)C1.
What is the InChIKey of ethyl 1-[(4-propan-2-ylphenyl)carbamoyl]piperidine-3-carboxylate?
The InChIKey is OBHGLEDGKAWUTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3/c1-4-23-17(21)15-6-5-11-20(12-15)18(22)19-16-9-7-14(8-10-16)13(2)3/h7-10,13,15H,4-6,11-12H2,1-3H3,(H,19,22).
What are the key properties of ethyl 1-[(4-propan-2-ylphenyl)carbamoyl]piperidine-3-carboxylate?
ethyl 1-[(4-propan-2-ylphenyl)carbamoyl]piperidine-3-carboxylate has a molecular weight of 318.42 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[(4-propan-2-ylphenyl)carbamoyl]piperidine-3-carboxylate is sourced from PubChem (CID 42695560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).