(4-methylphenyl)methyl 4-[[[2-(pentan-3-ylamino)pyridine-4-carbonyl]amino]methyl]piperidine-1-carboxylate

C26H36N4O3 — CID 58933731

IUPAC(4-methylphenyl)methyl 4-[[[2-(pentan-3-ylamino)pyridine-4-carbonyl]amino]methyl]piperidine-1-carboxylate
SMILESCCC(CC)Nc1cc(C(=O)NCC2CCN(C(=O)OCc3ccc(C)cc3)CC2)ccn1
InChIInChI=1S/C26H36N4O3/c1-4-23(5-2)29-24-16-22(10-13-27-24)25(31)28-17-20-11-14-30(15-12-20)26(32)33-18-21-8-6-19(3)7-9-21/h6-10,13,16,20,23H,4-5,11-12,14-15,17-18H2,1-3H3,(H,27,29)(H,28,31)
InChIKeyDONXRFFZNVUCDR-UHFFFAOYSA-N
MW452.60 g/mol
LogP4.77
Rot. Bonds9

About (4-methylphenyl)methyl 4-[[[2-(pentan-3-ylamino)pyridine-4-carbonyl]amino]methyl]piperidine-1-carboxylate

(4-methylphenyl)methyl 4-[[[2-(pentan-3-ylamino)pyridine-4-carbonyl]amino]methyl]piperidine-1-carboxylate (PubChem CID 58933731) has the molecular formula C26H36N4O3 and a molecular weight of 452.60 g/mol. Its IUPAC name is (4-methylphenyl)methyl 4-[[[2-(pentan-3-ylamino)pyridine-4-carbonyl]amino]methyl]piperidine-1-carboxylate.

Molecular Properties

Compound Name(4-methylphenyl)methyl 4-[[[2-(pentan-3-ylamino)pyridine-4-carbonyl]amino]methyl]piperidine-1-carboxylate
PubChem CID58933731
Molecular FormulaC26H36N4O3
Molecular Weight452.60 g/mol
Exact Mass452.28
IUPAC Name(4-methylphenyl)methyl 4-[[[2-(pentan-3-ylamino)pyridine-4-carbonyl]amino]methyl]piperidine-1-carboxylate
SMILESCCC(CC)Nc1cc(C(=O)NCC2CCN(C(=O)OCc3ccc(C)cc3)CC2)ccn1
InChIInChI=1S/C26H36N4O3/c1-4-23(5-2)29-24-16-22(10-13-27-24)25(31)28-17-20-11-14-30(15-12-20)26(32)33-18-21-8-6-19(3)7-9-21/h6-10,13,16,20,23H,4-5,11-12,14-15,17-18H2,1-3H3,(H,27,29)(H,28,31)
InChIKeyDONXRFFZNVUCDR-UHFFFAOYSA-N
XLogP4.77
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.60
LogP ≤ 54.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (4-methylphenyl)methyl 4-[[[2-(pentan-3-ylamino)pyridine-4-carbonyl]amino]methyl]piperidine-1-carboxylate with MolForge

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Related Compounds

(4-methylphenyl)methyl 4-[[[2-[(4-methylphenyl)methylamino]pyridine-4-carbonyl]amino]methyl]piperidine-1-carboxylate
CID 58933760
(4-methylphenyl)methyl 4-[[[2-(cyclobutylamino)pyridine-4-carbonyl]amino]methyl]piperidine-1-carboxylate
CID 58933724
benzyl 4-[[[2-(cyclobutylamino)pyridine-4-carbonyl]amino]methyl]piperidine-1-carboxylate
CID 59074849
(4-methylphenyl)methyl 4-[[(4-acetylbenzoyl)amino]methyl]piperidine-1-carboxylate
CID 58933564
(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-(propylcarbamoyl)-2-pyridinyl]amino]piperidine-1-carboxylate
CID 109165045
(4-propan-2-ylphenyl)methyl 4-[(1H-pyrazole-5-carbonylamino)methyl]piperidine-1-carboxylate
CID 10134633
ethyl 4-[[2-(4-ethylanilino)pyridine-4-carbonyl]amino]piperidine-1-carboxylate
CID 109174202
N-(cyclopentylmethyl)-2-hydrazinylpyridine-4-carboxamide
CID 62243385
N-[(4-ethylcyclohexyl)methyl]-2-hydrazinylpyridine-4-carboxamide
CID 62244029

Frequently Asked Questions

What is the IUPAC name of (4-methylphenyl)methyl 4-[[[2-(pentan-3-ylamino)pyridine-4-carbonyl]amino]methyl]piperidine-1-carboxylate?
The IUPAC name of (4-methylphenyl)methyl 4-[[[2-(pentan-3-ylamino)pyridine-4-carbonyl]amino]methyl]piperidine-1-carboxylate (CID 58933731) is (4-methylphenyl)methyl 4-[[[2-(pentan-3-ylamino)pyridine-4-carbonyl]amino]methyl]piperidine-1-carboxylate.
What is the SMILES notation for (4-methylphenyl)methyl 4-[[[2-(pentan-3-ylamino)pyridine-4-carbonyl]amino]methyl]piperidine-1-carboxylate?
The canonical SMILES for (4-methylphenyl)methyl 4-[[[2-(pentan-3-ylamino)pyridine-4-carbonyl]amino]methyl]piperidine-1-carboxylate is CCC(CC)Nc1cc(C(=O)NCC2CCN(C(=O)OCc3ccc(C)cc3)CC2)ccn1.
What is the InChIKey of (4-methylphenyl)methyl 4-[[[2-(pentan-3-ylamino)pyridine-4-carbonyl]amino]methyl]piperidine-1-carboxylate?
The InChIKey is DONXRFFZNVUCDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N4O3/c1-4-23(5-2)29-24-16-22(10-13-27-24)25(31)28-17-20-11-14-30(15-12-20)26(32)33-18-21-8-6-19(3)7-9-21/h6-10,13,16,20,23H,4-5,11-12,14-15,17-18H2,1-3H3,(H,27,29)(H,28,31).
What are the key properties of (4-methylphenyl)methyl 4-[[[2-(pentan-3-ylamino)pyridine-4-carbonyl]amino]methyl]piperidine-1-carboxylate?
(4-methylphenyl)methyl 4-[[[2-(pentan-3-ylamino)pyridine-4-carbonyl]amino]methyl]piperidine-1-carboxylate has a molecular weight of 452.60 g/mol, XLogP of 4.77, 9 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-(pentan-3-ylamino)pyridine-4-carbonyl]amino]methyl]piperidine-1-carboxylate is sourced from PubChem (CID 58933731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).