(4-propan-2-ylphenyl)methyl 4-[(1H-pyrazole-5-carbonylamino)methyl]piperidine-1-carboxylate

C21H28N4O3 — CID 10134633

IUPAC(4-propan-2-ylphenyl)methyl 4-[(1H-pyrazole-5-carbonylamino)methyl]piperidine-1-carboxylate
SMILESCC(C)c1ccc(COC(=O)N2CCC(CNC(=O)c3ccn[nH]3)CC2)cc1
InChIInChI=1S/C21H28N4O3/c1-15(2)18-5-3-17(4-6-18)14-28-21(27)25-11-8-16(9-12-25)13-22-20(26)19-7-10-23-24-19/h3-7,10,15-16H,8-9,11-14H2,1-2H3,(H,22,26)(H,23,24)
InChIKeyBKVJZMNJAQJRKQ-UHFFFAOYSA-N
MW384.48 g/mol
LogP3.31
Rot. Bonds6

About (4-propan-2-ylphenyl)methyl 4-[(1H-pyrazole-5-carbonylamino)methyl]piperidine-1-carboxylate

(4-propan-2-ylphenyl)methyl 4-[(1H-pyrazole-5-carbonylamino)methyl]piperidine-1-carboxylate (PubChem CID 10134633) has the molecular formula C21H28N4O3 and a molecular weight of 384.48 g/mol. Its IUPAC name is (4-propan-2-ylphenyl)methyl 4-[(1H-pyrazole-5-carbonylamino)methyl]piperidine-1-carboxylate.

Molecular Properties

Compound Name(4-propan-2-ylphenyl)methyl 4-[(1H-pyrazole-5-carbonylamino)methyl]piperidine-1-carboxylate
PubChem CID10134633
Molecular FormulaC21H28N4O3
Molecular Weight384.48 g/mol
Exact Mass384.22
IUPAC Name(4-propan-2-ylphenyl)methyl 4-[(1H-pyrazole-5-carbonylamino)methyl]piperidine-1-carboxylate
SMILESCC(C)c1ccc(COC(=O)N2CCC(CNC(=O)c3ccn[nH]3)CC2)cc1
InChIInChI=1S/C21H28N4O3/c1-15(2)18-5-3-17(4-6-18)14-28-21(27)25-11-8-16(9-12-25)13-22-20(26)19-7-10-23-24-19/h3-7,10,15-16H,8-9,11-14H2,1-2H3,(H,22,26)(H,23,24)
InChIKeyBKVJZMNJAQJRKQ-UHFFFAOYSA-N
XLogP3.31
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(4-methylphenyl)methyl 4-[[(6-oxo-1H-pyridazine-3-carbonyl)amino]methyl]piperidine-1-carboxylate
CID 10178059
(4-methylphenyl)methyl 4-[[(4-acetylbenzoyl)amino]methyl]piperidine-1-carboxylate
CID 58933564
(4-methylphenyl)methyl 4-[[[2-(pentan-3-ylamino)pyridine-4-carbonyl]amino]methyl]piperidine-1-carboxylate
CID 58933731
(4-methylphenyl)methyl 4-[[[2-[(4-methylphenyl)methylamino]pyridine-4-carbonyl]amino]methyl]piperidine-1-carboxylate
CID 58933760
benzyl 4-[(pyridazine-4-carbonylamino)methyl]piperidine-1-carboxylate
CID 58933452
(4-fluorophenyl)methyl 4-[[(1-methylpyrrole-2-carbonyl)amino]methyl]piperidine-1-carboxylate
CID 10270687
benzyl 4-[[(5-methyl-1H-imidazole-4-carbonyl)amino]methyl]piperidine-1-carboxylate
CID 10132923
(4-methylphenyl)methyl 4-[[[4-(2-hydroxyethyl)benzoyl]amino]methyl]piperidine-1-carboxylate
CID 58933569
benzyl 4-[(propan-2-ylamino)methyl]piperidine-1-carboxylate
CID 66569243
benzyl 4-[[(3-bromopyridine-4-carbonyl)amino]methyl]piperidine-1-carboxylate
CID 58933764
(4-methylphenyl)methyl 4-[[[2-(cyclobutylamino)pyridine-4-carbonyl]amino]methyl]piperidine-1-carboxylate
CID 58933724
benzyl 4-[[(5-hydroxypyrimidine-2-carbonyl)amino]methyl]piperidine-1-carboxylate
CID 58933592

Frequently Asked Questions

What is the IUPAC name of (4-propan-2-ylphenyl)methyl 4-[(1H-pyrazole-5-carbonylamino)methyl]piperidine-1-carboxylate?
The IUPAC name of (4-propan-2-ylphenyl)methyl 4-[(1H-pyrazole-5-carbonylamino)methyl]piperidine-1-carboxylate (CID 10134633) is (4-propan-2-ylphenyl)methyl 4-[(1H-pyrazole-5-carbonylamino)methyl]piperidine-1-carboxylate.
What is the SMILES notation for (4-propan-2-ylphenyl)methyl 4-[(1H-pyrazole-5-carbonylamino)methyl]piperidine-1-carboxylate?
The canonical SMILES for (4-propan-2-ylphenyl)methyl 4-[(1H-pyrazole-5-carbonylamino)methyl]piperidine-1-carboxylate is CC(C)c1ccc(COC(=O)N2CCC(CNC(=O)c3ccn[nH]3)CC2)cc1.
What is the InChIKey of (4-propan-2-ylphenyl)methyl 4-[(1H-pyrazole-5-carbonylamino)methyl]piperidine-1-carboxylate?
The InChIKey is BKVJZMNJAQJRKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O3/c1-15(2)18-5-3-17(4-6-18)14-28-21(27)25-11-8-16(9-12-25)13-22-20(26)19-7-10-23-24-19/h3-7,10,15-16H,8-9,11-14H2,1-2H3,(H,22,26)(H,23,24).
What are the key properties of (4-propan-2-ylphenyl)methyl 4-[(1H-pyrazole-5-carbonylamino)methyl]piperidine-1-carboxylate?
(4-propan-2-ylphenyl)methyl 4-[(1H-pyrazole-5-carbonylamino)methyl]piperidine-1-carboxylate has a molecular weight of 384.48 g/mol, XLogP of 3.31, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-propan-2-ylphenyl)methyl 4-[(1H-pyrazole-5-carbonylamino)methyl]piperidine-1-carboxylate is sourced from PubChem (CID 10134633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).