propan-2-yl 4-[[1-(phenylcarbamoyl)piperidine-3-carbonyl]amino]benzoate

C23H27N3O4 — CID 24503608

IUPACpropan-2-yl 4-[[1-(phenylcarbamoyl)piperidine-3-carbonyl]amino]benzoate
SMILESCC(C)OC(=O)c1ccc(NC(=O)C2CCCN(C(=O)Nc3ccccc3)C2)cc1
InChIInChI=1S/C23H27N3O4/c1-16(2)30-22(28)17-10-12-20(13-11-17)24-21(27)18-7-6-14-26(15-18)23(29)25-19-8-4-3-5-9-19/h3-5,8-13,16,18H,6-7,14-15H2,1-2H3,(H,24,27)(H,25,29)
InChIKeyCAYDGNLKRUDRRQ-UHFFFAOYSA-N
MW409.49 g/mol
LogP4.13
Rot. Bonds5

About propan-2-yl 4-[[1-(phenylcarbamoyl)piperidine-3-carbonyl]amino]benzoate

propan-2-yl 4-[[1-(phenylcarbamoyl)piperidine-3-carbonyl]amino]benzoate (PubChem CID 24503608) has the molecular formula C23H27N3O4 and a molecular weight of 409.49 g/mol. Its IUPAC name is propan-2-yl 4-[[1-(phenylcarbamoyl)piperidine-3-carbonyl]amino]benzoate.

Molecular Properties

Compound Namepropan-2-yl 4-[[1-(phenylcarbamoyl)piperidine-3-carbonyl]amino]benzoate
PubChem CID24503608
Molecular FormulaC23H27N3O4
Molecular Weight409.49 g/mol
Exact Mass409.20
IUPAC Namepropan-2-yl 4-[[1-(phenylcarbamoyl)piperidine-3-carbonyl]amino]benzoate
SMILESCC(C)OC(=O)c1ccc(NC(=O)C2CCCN(C(=O)Nc3ccccc3)C2)cc1
InChIInChI=1S/C23H27N3O4/c1-16(2)30-22(28)17-10-12-20(13-11-17)24-21(27)18-7-6-14-26(15-18)23(29)25-19-8-4-3-5-9-19/h3-5,8-13,16,18H,6-7,14-15H2,1-2H3,(H,24,27)(H,25,29)
InChIKeyCAYDGNLKRUDRRQ-UHFFFAOYSA-N
XLogP4.13
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.49
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-3-N-[4-(methylcarbamoyl)phenyl]-1-N-phenylpiperidine-1,3-dicarboxamide
CID 9091528
(3R)-3-N-[4-[(4-methoxyphenyl)carbamoyl]phenyl]-1-N-phenylpiperidine-1,3-dicarboxamide
CID 41036902
(3S)-3-N-(4-methylphenyl)-1-N-phenylpiperidine-1,3-dicarboxamide
CID 9071786
3-N-phenyl-1-N-propan-2-ylpiperidine-1,3-dicarboxamide
CID 42928143
(3S)-3-N-(4-ethoxyphenyl)-1-N-phenylpiperidine-1,3-dicarboxamide
CID 7435320
(3S)-3-N-(4-fluorophenyl)-1-N-phenylpiperidine-1,3-dicarboxamide
CID 9070375
(3R)-3-N-(4-chlorophenyl)-1-N-phenylpiperidine-1,3-dicarboxamide
CID 9073266
3-N-[4-(cyclopropylcarbamoyl)phenyl]-1-N-phenylpiperidine-1,3-dicarboxamide
CID 55489108
(3R)-N-phenyl-1-[1-(phenylcarbamoyl)piperidine-4-carbonyl]piperidine-3-carboxamide
CID 34568694
1-N-phenyl-3-N-(4-propylphenyl)piperidine-1,3-dicarboxamide
CID 24503682
2-methylpropyl 3-(phenylcarbamoyl)piperidine-1-carboxylate
CID 68757198
3-N-(5-methylhexan-2-yl)-1-N-phenylpiperidine-1,3-dicarboxamide
CID 24659153

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 4-[[1-(phenylcarbamoyl)piperidine-3-carbonyl]amino]benzoate?
The IUPAC name of propan-2-yl 4-[[1-(phenylcarbamoyl)piperidine-3-carbonyl]amino]benzoate (CID 24503608) is propan-2-yl 4-[[1-(phenylcarbamoyl)piperidine-3-carbonyl]amino]benzoate.
What is the SMILES notation for propan-2-yl 4-[[1-(phenylcarbamoyl)piperidine-3-carbonyl]amino]benzoate?
The canonical SMILES for propan-2-yl 4-[[1-(phenylcarbamoyl)piperidine-3-carbonyl]amino]benzoate is CC(C)OC(=O)c1ccc(NC(=O)C2CCCN(C(=O)Nc3ccccc3)C2)cc1.
What is the InChIKey of propan-2-yl 4-[[1-(phenylcarbamoyl)piperidine-3-carbonyl]amino]benzoate?
The InChIKey is CAYDGNLKRUDRRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O4/c1-16(2)30-22(28)17-10-12-20(13-11-17)24-21(27)18-7-6-14-26(15-18)23(29)25-19-8-4-3-5-9-19/h3-5,8-13,16,18H,6-7,14-15H2,1-2H3,(H,24,27)(H,25,29).
What are the key properties of propan-2-yl 4-[[1-(phenylcarbamoyl)piperidine-3-carbonyl]amino]benzoate?
propan-2-yl 4-[[1-(phenylcarbamoyl)piperidine-3-carbonyl]amino]benzoate has a molecular weight of 409.49 g/mol, XLogP of 4.13, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 4-[[1-(phenylcarbamoyl)piperidine-3-carbonyl]amino]benzoate is sourced from PubChem (CID 24503608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).