(4-methylphenyl)methyl 4-[[[2-(cyclobutylamino)pyridine-4-carbonyl]amino]methyl]piperidine-1-carboxylate

C25H32N4O3 — CID 58933724

IUPAC(4-methylphenyl)methyl 4-[[[2-(cyclobutylamino)pyridine-4-carbonyl]amino]methyl]piperidine-1-carboxylate
SMILESCc1ccc(COC(=O)N2CCC(CNC(=O)c3ccnc(NC4CCC4)c3)CC2)cc1
InChIInChI=1S/C25H32N4O3/c1-18-5-7-20(8-6-18)17-32-25(31)29-13-10-19(11-14-29)16-27-24(30)21-9-12-26-23(15-21)28-22-3-2-4-22/h5-9,12,15,19,22H,2-4,10-11,13-14,16-17H2,1H3,(H,26,28)(H,27,30)
InChIKeyYUAQIHCTIGNNND-UHFFFAOYSA-N
MW436.56 g/mol
LogP4.13
Rot. Bonds7

About (4-methylphenyl)methyl 4-[[[2-(cyclobutylamino)pyridine-4-carbonyl]amino]methyl]piperidine-1-carboxylate

(4-methylphenyl)methyl 4-[[[2-(cyclobutylamino)pyridine-4-carbonyl]amino]methyl]piperidine-1-carboxylate (PubChem CID 58933724) has the molecular formula C25H32N4O3 and a molecular weight of 436.56 g/mol. Its IUPAC name is (4-methylphenyl)methyl 4-[[[2-(cyclobutylamino)pyridine-4-carbonyl]amino]methyl]piperidine-1-carboxylate.

Molecular Properties

Compound Name(4-methylphenyl)methyl 4-[[[2-(cyclobutylamino)pyridine-4-carbonyl]amino]methyl]piperidine-1-carboxylate
PubChem CID58933724
Molecular FormulaC25H32N4O3
Molecular Weight436.56 g/mol
Exact Mass436.25
IUPAC Name(4-methylphenyl)methyl 4-[[[2-(cyclobutylamino)pyridine-4-carbonyl]amino]methyl]piperidine-1-carboxylate
SMILESCc1ccc(COC(=O)N2CCC(CNC(=O)c3ccnc(NC4CCC4)c3)CC2)cc1
InChIInChI=1S/C25H32N4O3/c1-18-5-7-20(8-6-18)17-32-25(31)29-13-10-19(11-14-29)16-27-24(30)21-9-12-26-23(15-21)28-22-3-2-4-22/h5-9,12,15,19,22H,2-4,10-11,13-14,16-17H2,1H3,(H,26,28)(H,27,30)
InChIKeyYUAQIHCTIGNNND-UHFFFAOYSA-N
XLogP4.13
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.56
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (4-methylphenyl)methyl 4-[[[2-(cyclobutylamino)pyridine-4-carbonyl]amino]methyl]piperidine-1-carboxylate with MolForge

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Related Compounds

benzyl 4-[[[2-(cyclobutylamino)pyridine-4-carbonyl]amino]methyl]piperidine-1-carboxylate
CID 59074849
(4-methylphenyl)methyl 4-[[[2-[(4-methylphenyl)methylamino]pyridine-4-carbonyl]amino]methyl]piperidine-1-carboxylate
CID 58933760
(4-methylphenyl)methyl 4-[[[2-(pentan-3-ylamino)pyridine-4-carbonyl]amino]methyl]piperidine-1-carboxylate
CID 58933731
(4-methylphenyl)methyl 4-[[(4-acetylbenzoyl)amino]methyl]piperidine-1-carboxylate
CID 58933564
ethyl 4-[[4-(propylcarbamoyl)-2-pyridinyl]amino]piperidine-1-carboxylate
CID 109165045
(4-methylphenyl)methyl 4-[[[4-(2-hydroxyethyl)benzoyl]amino]methyl]piperidine-1-carboxylate
CID 58933569
(4-methylphenyl)methyl 4-[[(6-oxo-1H-pyridazine-3-carbonyl)amino]methyl]piperidine-1-carboxylate
CID 10178059
benzyl 4-[(pyridazine-4-carbonylamino)methyl]piperidine-1-carboxylate
CID 58933452
ethyl 4-[[4-[(3,4-dimethylphenyl)carbamoyl]-2-pyridinyl]amino]piperidine-1-carboxylate
CID 109174231
N-(cyclopentylmethyl)-2-hydrazinylpyridine-4-carboxamide
CID 62243385
ethyl 4-[[4-[(dimethylamino)methyl]-2-pyridinyl]amino]piperidine-1-carboxylate
CID 154752830
tert-butyl 4-[[[4-[4-[[4-[1-(4-methylbenzoyl)piperidin-4-yl]oxyphenyl]methoxy]phenyl]benzoyl]amino]methyl]piperidine-1-carboxylate
CID 177072963

Frequently Asked Questions

What is the IUPAC name of (4-methylphenyl)methyl 4-[[[2-(cyclobutylamino)pyridine-4-carbonyl]amino]methyl]piperidine-1-carboxylate?
The IUPAC name of (4-methylphenyl)methyl 4-[[[2-(cyclobutylamino)pyridine-4-carbonyl]amino]methyl]piperidine-1-carboxylate (CID 58933724) is (4-methylphenyl)methyl 4-[[[2-(cyclobutylamino)pyridine-4-carbonyl]amino]methyl]piperidine-1-carboxylate.
What is the SMILES notation for (4-methylphenyl)methyl 4-[[[2-(cyclobutylamino)pyridine-4-carbonyl]amino]methyl]piperidine-1-carboxylate?
The canonical SMILES for (4-methylphenyl)methyl 4-[[[2-(cyclobutylamino)pyridine-4-carbonyl]amino]methyl]piperidine-1-carboxylate is Cc1ccc(COC(=O)N2CCC(CNC(=O)c3ccnc(NC4CCC4)c3)CC2)cc1.
What is the InChIKey of (4-methylphenyl)methyl 4-[[[2-(cyclobutylamino)pyridine-4-carbonyl]amino]methyl]piperidine-1-carboxylate?
The InChIKey is YUAQIHCTIGNNND-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4O3/c1-18-5-7-20(8-6-18)17-32-25(31)29-13-10-19(11-14-29)16-27-24(30)21-9-12-26-23(15-21)28-22-3-2-4-22/h5-9,12,15,19,22H,2-4,10-11,13-14,16-17H2,1H3,(H,26,28)(H,27,30).
What are the key properties of (4-methylphenyl)methyl 4-[[[2-(cyclobutylamino)pyridine-4-carbonyl]amino]methyl]piperidine-1-carboxylate?
(4-methylphenyl)methyl 4-[[[2-(cyclobutylamino)pyridine-4-carbonyl]amino]methyl]piperidine-1-carboxylate has a molecular weight of 436.56 g/mol, XLogP of 4.13, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylphenyl)methyl 4-[[[2-(cyclobutylamino)pyridine-4-carbonyl]amino]methyl]piperidine-1-carboxylate is sourced from PubChem (CID 58933724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).